Bis(2-chloroethylthio)methane
Basic information
- CAS
63869-13-6- Standard SMILES
ClCCSCSCCCl- InChIKey
RKTJTTAEKCRXNL-UHFFFAOYSA-N- Molecular formula
- C5H10Cl2S2
- Average molar mass
- 205.2 g/mol
- Monoisotopic mass
- 203.9600981
Overview
This is a chemical weapon related to sulfur mustard (mustard gas) and is expected to react in a similar fashion. See the chemical datasheet for sulfur mustard for more information.
Names & identifiers
- Preferred name
- Bis(2-chloroethylthio)methane
- IUPAC
- 1-chloro-2-(2-chloroethylsulfanylmethylsulfanyl)ethane
- English name
- Bis(2-chloroethylthio)methane
- Molecular formula
- C5H10Cl2S2
- Molecular weight
- 205.17
Names & synonyms
Bis(2-chloroethylthio)methane63869-13-6DTXSID2074798RefChem:568716DTXCID60441491-Chloro-2-(([(2-chloroethyl)sulfanyl]methyl)sulfanyl)ethane1-CHLORO-2-({[(2-CHLOROETHYL)SULFANYL]METHYL}SULFANYL)ETHANEBis((2-chloroethyl)thio)methaneSCHEMBL3769141-Chloro-2-(([(2-chloroethyl)sulfanyl]methyl)sulfanyl)ethane #RKTJTTAEKCRXNL-UHFFFAOYSA-NEthane, 1,1'-[methylenebis(thio)]bis[2-chloro-
Database identifiers
- CAS
63869-13-6- PubChem CID
- 522107
- DTXSID
DTXSID2074798
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 46.2
Experimental & physicochemical properties
Physical DescriptionThis is a chemical weapon related to sulfur mustard (mustard gas) and is expected to react in a similar fashion. See the chemical datasheet for sulfur mustard for more information.
Physicochemical properties
- Boiling point
- 85 °C · 85 °C(Press: 0.035 Torr)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Bis(2-chloroethylthio)methane (63869-13-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsWater-Reactive
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
DHS Chemicals of Interest (COI)
Bis(2- chloroethylthio)methane
CUM 100g
CUM 100g
Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.
Safety & protection
Protective Action Criteria (PAC)
0.010 [ppm]
0.020 [ppm]
0.32 [ppm]
Regulatory information
DHS Chemicals of Interest (COI)
Bis(2- chloroethylthio)methane
CUM 100g
CUM 100g
Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.
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Compound notes
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