2-[(2-Chloroprop-2-en-1-yl)sulfanyl]ethanethiol
Basic information
- CAS
5769-51-7- Standard SMILES
C=C(Cl)CSCCS- InChIKey
OSYKQWYOQVCLLH-UHFFFAOYSA-N- Molecular formula
- C5H9ClS2
- Average molar mass
- 168.7 g/mol
- Monoisotopic mass
- 167.9834203
Names & identifiers
- Preferred name
- 2-[(2-Chloroprop-2-en-1-yl)sulfanyl]ethanethiol
- IUPAC
- 2-(2-chloroprop-2-enylsulfanyl)ethanethiol
Names & synonyms
5769-51-72-[(2-chloroprop-2-en-1-yl)sulfanyl]ethanethiolNSC148220DTXSID90302040NSC-1482202-[(2-Chloroprop-2-en-1-yl)sulfanyl]ethane-1-thiol
Database identifiers
- CAS
5769-51-7- PubChem CID
- 287928
- DTXSID
DTXSID90302040
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…