Basic information
- CAS
63732-12-7- Standard SMILES
CC(SCCCl)C(C)SCCCl- InChIKey
ISUQEBSPGWDNKY-UHFFFAOYSA-N- Molecular formula
- C8H16Cl2S2
- Average molar mass
- 247.3 g/mol
- Monoisotopic mass
- 246.0070482
Names & identifiers
- Preferred name
- Butane, 2,3-bis(2-chloroethylthio)-
- IUPAC
- 2,3-bis(2-chloroethylsulfanyl)butane
- English name
- 2,3-Bis(2-chloroethylthio)butane
- Molecular formula
- C8H16Cl2S2
- Molecular weight
- 247.25
Names & synonyms
TL 76763732-12-7BUTANE, 2,3-BIS(2-CHLOROETHYLTHIO)-Butane, 2,3-bis(2-chloroethylmercapto)-RefChem:3305152,3-Bis(2-chloroethylthio)butane2,3-BIS[(2-CHLOROETHYL)SULFANYL]BUTANEDTXSID80980194DB-302207TL-767Butane, 2,3-bis[(2-chloroethyl)thio]-
Database identifiers
- CAS
63732-12-7- PubChem CID
- 44650
- DTXSID
DTXSID80980194- Nikkaji
- J64.609A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 89.1
Physicochemical properties
- Boiling point
- 343 · 343.0±22.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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