3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol
Basic information
- CAS
5769-52-8- Standard SMILES
C=C(Cl)CSCCCS- InChIKey
ZKFSEZMMCGOMAH-UHFFFAOYSA-N- Molecular formula
- C6H11ClS2
- Average molar mass
- 182.7 g/mol
- Monoisotopic mass
- 181.9990704
Names & identifiers
- Preferred name
- 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol
- IUPAC
- 3-(2-chloroprop-2-enylsulfanyl)propane-1-thiol
Names & synonyms
5769-52-83-[(2-chloroprop-2-en-1-yl)sulfanyl]propane-1-thiolNSC148212DTXSID40302035NSC-148212
Database identifiers
- CAS
5769-52-8- PubChem CID
- 287922
- DTXSID
DTXSID40302035
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
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Compound notes
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