Basic information
- Standard SMILES
O=S(=O)(CCS)c1ccccc1- InChIKey
BAEOVAZDSZHOSW-UHFFFAOYSA-N- Molecular formula
- C8H10O2S2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.0122219
Names & identifiers
- Preferred name
- 2-(Phenylsulfonyl)ethanethiol
- IUPAC
- 2-(benzenesulfonyl)ethanethiol
Names & synonyms
2-(phenylsulfonyl)ethanethiolSCHEMBL1722036SCHEMBL4182868BAEOVAZDSZHOSW-UHFFFAOYSA-NPVS
Database identifiers
- PubChem CID
- 447093
- Nikkaji
- J1.822.050D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Related reactions
10 records
Compound notes
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