[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol

C6H12S4

CAS136122-15-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
136122-15-1
EC Number
419-770-8
UN Number
3265
Index Number
613-224-00-4
PubChem CID
11401600

Physical-chemical properties

Molecular Formula
C6H12S4
Molar Mass
212.40 g/mol
IUPAC Name
[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol

Chemical Identifiers

InChI
InChI=1S/C6H12S4/c7-1-5-3-10-6(2-8)4-9-5/h5-8H,1-4H2
InChI Key
COYTVZAYDAIHDK-UHFFFAOYSA-N

Overview

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol (CAS 136122-15-1) is an organosulfur compound with multiple thiol functional groups and high chemical reactivity. This specialized organosulfur chemical features a complex dithiane ring structure substituted with sulfanylmethyl groups, making it a valuable intermediate in various chemical synthesis processes. With the molecular formula C6H12S4 and a molecular weight of 212.4 g/mol, this compound contains four sulfur atoms that contribute to its distinctive chemical properties and reactivity profile. The presence of multiple thiol groups (-SH) provides excellent nucleophilic characteristics, making it particularly useful in organic synthesis applications requiring sulfur incorporation. The compound requires careful handling due to its hazardous nature, classified under multiple danger categories including acute toxicity, skin corrosion, skin sensitization, and aquatic toxicity. It carries the "Danger" signal word and is regulated under ADR Class 8 for transport purposes, reflecting its corrosive properties. Like other sulfur-containing compounds such as sodium N-methylcarbamodithioate, proper safety protocols and specialized storage conditions are essential when working with this material. Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials development where sulfur-containing functional groups are required. The compound's unique structure makes it particularly valuable in the synthesis of complex organic molecules and as a building block for sulfur-rich materials with specific performance characteristics. OYSI maintains reliable supply chains for [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol, ensuring consistent availability for European industrial customers requiring this specialized organosulfur compound for their technical applications.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Skin Corr. 1B; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

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

Harmful

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number3265
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name2,5-Dimercaptomethyl-1,4-dithian
Marine PollutantNo

Frequently Asked Questions

What is [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol is an organosulfur compound with the molecular formula C6H12S4 and CAS number 136122-15-1. This chemical substance contains four sulfur atoms in its structure, including a dithiane ring and thiol functional groups. With a molecular weight of 212.4 g/mol, it represents a specialized sulfur-containing molecule used in various chemical applications requiring specific reactivity patterns.

What are the physicochemical properties of [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol is a sulfur-rich organic compound with molecular formula C6H12S4. Due to its multiple thiol groups, it likely exhibits a characteristic sulfur-containing odor and may appear as a liquid or solid at room temperature. The presence of four sulfur atoms and thiol functionalities suggests limited water solubility but good solubility in organic solvents. Its chemical reactivity is primarily governed by the thiol groups.

What is [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol used for?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research. Its multiple thiol groups make it valuable for cross-linking reactions, polymer chemistry, and as a building block for more complex sulfur-containing molecules. The compound may also find applications in materials science for developing sulfur-rich polymers or as a reagent in specialized chemical transformations requiring multiple reactive sulfur sites.

How to handle [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol safely?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol requires careful handling due to its corrosive and sensitizing properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound is classified as Skin Corrosive 1B and Skin Sensitizer 1, requiring immediate skin contact prevention and proper emergency procedures.

How to store [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol correctly?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its corrosive nature (Skin Corr. 1B), use corrosion-resistant containers and avoid contact with metals that may react with thiol groups. Store separately from oxidizing agents, strong bases, and acids. Ensure proper labeling and restricted access due to its hazardous classification.

What to do in case of contact with [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol?

Immediate action is required upon contact with [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol due to its corrosive properties. For skin contact, immediately remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air immediately. Always seek medical attention after any exposure due to the compound's toxic and corrosive classification.

How to dispose of [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol appropriately?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol must be disposed of as hazardous waste according to local and national regulations. Due to its corrosive and aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), it cannot be disposed of through normal waste streams. Contact licensed hazardous waste disposal companies and follow all applicable environmental regulations. Never discharge into sewers, waterways, or soil due to its environmental hazard classification.

How to transport [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol is classified as ADR Class 8 (corrosive substances), Packing Group II for transportation. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Packages must display appropriate hazard labels and be constructed to prevent leakage. Transportation must comply with ADR/RID regulations for road/rail transport, and handlers must be trained in dangerous goods procedures and emergency response.

Is [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol subject to specific regulations?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol is subject to standard chemical regulations under REACH and CLP in Europe. It is not currently classified as a Substance of Very High Concern (SVHC). However, its hazard classification (Acute Tox. 4, Skin Corr. 1B, Skin Sens. 1, Aquatic toxicity) requires compliance with safety data sheet requirements, proper labeling with GHS pictograms (GHS05, GHS07, GHS09), and appropriate risk management measures in professional use.

Where to buy [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol in Europe?

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol is available through OYSI, a European distributor specializing in technical chemical products. As a professional chemical distributor, OYSI can provide this specialized organosulfur compound to qualified industrial and research customers throughout Europe. Contact OYSI directly for availability, technical specifications, and regulatory compliance documentation. Professional handling and appropriate end-use applications are required due to the compound's hazardous classification.

Data Sources

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