[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 a cyclic dithiane structure. This specialized organosulfur compound represents a unique class of multifunctional thiols characterized by its distinctive 1,4-dithiane ring system bearing two sulfanylmethyl substituents. With the molecular formula C6H12S4 and a molecular weight of 212.4 g/mol, this compound contains four sulfur atoms that contribute to its reactivity profile and chemical versatility. The presence of multiple thiol groups (-SH) makes it particularly valuable in applications requiring strong nucleophilic properties or metal coordination capabilities. From a safety perspective, [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol requires careful handling protocols due to its classification as Acute Tox. 4, Skin Corr. 1B, and Skin Sens. 1 under GHS regulations. The compound carries the signal word "Danger" and displays pictograms GHS07, GHS05, and GHS09, indicating acute toxicity, corrosive properties, and environmental hazards respectively. Its ADR class 8 designation reflects its corrosive nature during transport. Like other sulfur-containing compounds such as sodium N-methylcarbamodithioate, proper ventilation and personal protective equipment are essential when handling this material. Industrial applications typically leverage the compound's multiple thiol functionalities for specialized chemical synthesis, metal chelation processes, and as an intermediate in pharmaceutical or agrochemical manufacturing. The dithiane ring system provides structural stability while maintaining the reactivity of the pendant thiol groups, making it suitable for complex organic transformations. OYSI maintains reliable supply chains for [5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol to support European industrial customers requiring this specialized organosulfur reagent.

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 features a dithiane ring structure with two thiol functional groups, giving it a molecular weight of 212.4 g/mol. It is classified as a hazardous substance requiring careful handling due to its corrosive and toxic properties.

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-containing organic compound that typically exhibits the characteristic properties of thiol compounds. Due to its multiple sulfur atoms and thiol groups, it likely has a strong, unpleasant odor typical of mercaptans. The compound's physical state, exact melting point, and solubility characteristics depend on storage conditions and require consultation of detailed technical datasheets.

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 unique dithiane structure and thiol functionalities make it valuable for creating complex sulfur-containing molecules. The compound may be used in the development of pharmaceutical compounds, agrochemicals, or specialty materials where specific sulfur chemistry is required.

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

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol requires strict safety measures due to its corrosive and toxic nature. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact completely, and ensure emergency eyewash stations and safety showers are readily accessible during handling operations.

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

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use corrosion-resistant containers with tight-fitting lids to prevent vapor release. Keep away from oxidizing agents, acids, and bases. Storage areas should be equipped with appropriate spill containment measures and maintained at stable temperatures to prevent degradation.

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 flush with copious amounts of water for at least 15 minutes and remove contaminated clothing. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air immediately. Always consult emergency services and provide the safety data sheet to medical personnel.

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

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol must be disposed of through licensed hazardous waste disposal facilities in accordance with local environmental regulations. Due to its aquatic toxicity classification, it cannot be discharged into waterways or sewers. Contact certified waste management companies specializing in chemical disposal. Maintain proper documentation of disposal activities and ensure compliance with REACH and CLP regulations throughout the disposal process.

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

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol is classified under ADR Class 8 (corrosive substances), Packing Group II, indicating moderate danger during transport. Shipments require appropriate corrosive substance packaging, proper labeling with GHS pictograms (GHS05, GHS07, GHS09), and compliance with dangerous goods regulations. Transport vehicles must carry emergency response information, and drivers require hazardous materials training certification.

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

[5-(sulfanylmethyl)-1,4-dithian-2-yl]methanethiol is subject to multiple European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC substance, its hazard classifications (Acute Tox. 4, Skin Corr. 1B, Skin Sens. 1, Aquatic toxicity) mandate strict labeling, safety data sheet provision, and exposure control measures in accordance with occupational health and environmental protection directives.

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 trusted European chemical distributor specializing in technical and specialty chemicals. OYSI provides comprehensive regulatory documentation, safety data sheets, and technical support to ensure compliant procurement and handling. Contact OYSI directly for availability, packaging options, and delivery throughout Europe, ensuring all regulatory requirements are met for your specific application needs.

Data Sources

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