Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccc(SC#N)cc2)cc1- InChIKey
MMJLNEXFUYKJGI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2S2
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- 4-{[(4-Methylphenyl)sulfonyl]amino}phenyl thiocyanate
- IUPAC
- [4-[(4-methylphenyl)sulfonylamino]phenyl] thiocyanate
Names & synonyms
4-{[(4-methylphenyl)sulfonyl]amino}phenyl thiocyanateSCHEMBL6832025MMJLNEXFUYKJGI-UHFFFAOYSA-N4'-thiocyano-p-toluenesulfonanilideSTK271518AKOS003353505ST45008431SR-01000249216SR-01000249216-1(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)thiocarbonitrile
Database identifiers
- PubChem CID
- 803483
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
Related reactions
4 records
Compound notes
Loading…