Propane, 1,2-bis((2-chloroethyl)thio)-
Basic information
- CAS
63905-09-9- Standard SMILES
CC(CSCCCl)SCCCl- InChIKey
DPROAIOXNOFXLZ-UHFFFAOYSA-N- Molecular formula
- C7H14Cl2S2
- Average molar mass
- 233.2 g/mol
- Monoisotopic mass
- 231.9913982
Names & identifiers
- Preferred name
- Propane, 1,2-bis((2-chloroethyl)thio)-
- IUPAC
- 1,2-bis(2-chloroethylsulfanyl)propane
- English name
- Propane,1,2-bis[(2-chloroethyl)thio]-
- Molecular formula
- C7H14Cl2S2
- Molecular weight
- 233.22
Names & synonyms
Propane, 1,2-bis((2-chloroethyl)thio)-TL 15363905-09-9RefChem:3742591,2-bis(2-chloroethylsulfanyl)propane1,2-BIS[(2-CHLOROETHYL)SULFANYL]PROPANEDTXSID209808551,2-Bis((2-chloroethyl)thio)propanePropane,1,2-bis[(2-chloroethyl)thio]-propane-1,2-diylbis((2-chloroethyl)sulfane)
Database identifiers
- CAS
63905-09-9- PubChem CID
- 3048383
- DTXSID
DTXSID20980855- Nikkaji
- J90.832K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 80.8
Physicochemical properties
- Boiling point
- 101 °C · 101 °C(Press: 0.02 Torr)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…