Basic information
- CAS
63905-10-2- Standard SMILES
ClCCSCCCSCCCl- InChIKey
YHRGRBPJIRKFND-UHFFFAOYSA-N- Molecular formula
- C7H14Cl2S2
- Average molar mass
- 233.2 g/mol
- Monoisotopic mass
- 231.9913982
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
- 1,3-Bis(2-chloroethylthio)propane
- IUPAC
- 1,3-bis(2-chloroethylsulfanyl)propane
Names & synonyms
1,3-Bis(2-chloroethylthio)propane1,3-bis(2-chloroethylthio)-n-propane63905-10-21,9-Dichloro-3,7-dithianonaneDTXSID801023352RefChem:413947DTXCID4015076931,3-Bis[(2-chloroethyl)sulfanyl]propaneSCHEMBL3893631,3-Bis[(2-chloroethyl)sulfanyl]propane #
Database identifiers
- CAS
63905-10-2- PubChem CID
- 522108
- DTXSID
DTXSID801023352- Nikkaji
- J1.913.813E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 63.5
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.
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)
1,3-Bis(2-chloroethylthio)- n-propane
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)
1,3-Bis(2-chloroethylthio)- n-propane
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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…