Basic information
- Standard SMILES
O=S(=O)(NCCCS)c1ccccc1- InChIKey
ZYOHXRUQNAMLBU-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.038771
Names & identifiers
- Preferred name
- N-(3-Mercaptopropyl)benzenesulfonamide
- IUPAC
- N-(3-sulfanylpropyl)benzenesulfonamide
Names & synonyms
N-(3-Mercaptopropyl)benzenesulfonamideSCHEMBL9710859ZYOHXRUQNAMLBU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20238482
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
6 records
Compound notes
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