Basic information
- Standard SMILES
O=S(=O)(N=C=S)c1ccccc1-c1ccccc1- InChIKey
LWHRXNBJYCIRNC-UHFFFAOYSA-N- Molecular formula
- C13H9NO2S2
- Average molar mass
- 275.4 g/mol
Names & identifiers
- Preferred name
- 2-Phenylbenzenesulfonyl isothiocyanate
- IUPAC
- 2-phenyl-N-(sulfanylidenemethylidene)benzenesulfonamide
Names & synonyms
SCHEMBL10836572LWHRXNBJYCIRNC-UHFFFAOYSA-N2-phenylbenzenesulfonyl isothiocyanate
Database identifiers
- PubChem CID
- 13422027
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 415
Related reactions
7 records
Linked notes
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