N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide

C10H14N2O5S3

CAS120298-38-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
120298-38-6
EC Number
415-030-3
UN Number
3077
Index Number
616-103-00-4
PubChem CID
21057026

Physical-chemical properties

Molecular Formula
C10H14N2O5S3
Molar Mass
338.40 g/mol
IUPAC Name
N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide

Chemical Identifiers

InChI
InChI=1S/C10H14N2O5S3/c1-5-3-8(12-6(2)13)7-4-9(20(11,16)17)18-10(7)19(5,14)15/h4-5,8H,3H2,1-2H3,(H,12,13)(H2,11,16,17)
InChI Key
MQRCTNZVQVRCRD-UHFFFAOYSA-N

Overview

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide (CAS 120298-38-6) is a complex heterocyclic sulfur compound featuring thieno-thiopyran structure with sulfamoyl and acetamide functional groups. This specialized organic compound represents a sophisticated example of polycyclic sulfur chemistry, incorporating multiple heteroatoms within its fused ring system. With a molecular formula of C10H14N2O5S3 and molecular weight of 338.4 g/mol, the compound exhibits unique structural characteristics that make it valuable for specific industrial applications. The presence of three sulfur atoms, along with nitrogen and oxygen functionalities, contributes to its distinctive chemical behavior and reactivity profile. The compound displays notable safety considerations, classified under GHS07 and GHS09 pictograms with a warning signal word. Its hazard profile includes skin sensitization potential (Skin Sens. 1) and significant aquatic toxicity, being classified as both acute and chronic aquatic hazard category 1. These properties necessitate careful handling protocols and appropriate environmental protection measures during storage and use. The ADR classification as Class 9 indicates it requires special consideration during transportation as a miscellaneous dangerous substance. In industrial applications, this compound finds use in specialized chemical synthesis, particularly in pharmaceutical intermediates and advanced materials research. Its complex heterocyclic structure makes it valuable for developing compounds with specific biological or chemical properties. The thieno-thiopyran framework is structurally distinct from simpler heterocyclic compounds like 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole, offering unique reactivity patterns for synthetic chemists. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality heterocyclic intermediates.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name(S,S)-trans-4-(Acetylamino)-5,6-dihydro-6-methyl-7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamid
Marine PollutantNo

Frequently Asked Questions

What is N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is a complex organic compound with CAS number 120298-38-6 and molecular formula C10H14N2O5S3. This chemical substance has a molecular weight of 338.4 g/mol and belongs to the thieno-thiopyran chemical family. It is classified as a skin sensitizer and presents aquatic toxicity, requiring careful handling and environmental protection measures during industrial use.

What are the physicochemical properties of N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is a solid compound at room temperature with a molecular weight of 338.4 g/mol. The substance contains multiple sulfur atoms and functional groups including acetamide and sulfamoyl groups, which influence its chemical behavior. Specific physical properties such as melting point, solubility, and appearance require detailed analytical characterization for complete determination.

What is N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide used for?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is typically used as an intermediate in pharmaceutical synthesis and specialized chemical manufacturing. Its complex structure containing thieno-thiopyran rings and sulfamoyl groups makes it valuable for developing bioactive compounds. The substance may also serve in research applications for medicinal chemistry and drug development processes requiring specific molecular scaffolds.

How to handle N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide safely?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide requires careful handling due to its skin sensitizing properties (Skin Sens. 1). Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid direct skin and eye contact, and prevent environmental release due to its aquatic toxicity classification.

How to store N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide correctly?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide should be stored in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. Keep the substance in its original packaging with proper labeling including GHS pictograms (GHS07, GHS09). Store away from incompatible materials and ensure adequate ventilation in storage areas. Implement measures to prevent environmental contamination due to its aquatic toxicity.

What to do in case of contact with N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?

In case of skin contact with N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide, immediately wash the affected area with plenty of soap and water for at least 15 minutes. Remove contaminated clothing and wash before reuse. For eye contact, rinse immediately with clean water for 15 minutes. If irritation persists or allergic reactions develop, seek medical attention promptly due to the skin sensitizing properties of this substance.

How to dispose of N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide appropriately?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide must be disposed of through authorized hazardous waste management facilities due to its classification as Aquatic Acute 1 and Aquatic Chronic 1. Do not discharge into sewers, waterways, or soil. Collect waste in appropriate containers and label according to hazardous waste regulations. Follow local and national environmental protection laws for chemical waste disposal.

How to transport N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. Use appropriate packaging materials that comply with UN specifications for Class 9 substances. Ensure proper labeling with hazard identification numbers and transport documentation. Follow ADR regulations for loading, segregation, and vehicle requirements when transporting this environmentally hazardous substance.

Is N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide subject to specific regulations?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is subject to CLP regulation with Warning signal word and specific hazard classifications (Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1). It requires appropriate GHS labeling with pictograms GHS07 and GHS09. The substance is not currently identified as SVHC under REACH regulation. Compliance with chemical safety assessments and exposure scenarios may be required depending on use volumes and applications.

Where to buy N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide in Europe?

N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for industrial and research applications. Contact OYSI directly for availability, specifications, and technical support regarding this specialized chemical compound for your specific requirements.

Services for N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide

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N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.