O-ethyl 4-[(4-methylphenyl)sulfamoyl]benzenecarbothioate
Basic information
- CAS
56768-73-1- Standard SMILES
CCOC(=S)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1- InChIKey
MSDGKXWTBCDBIG-UHFFFAOYSA-N- Molecular formula
- C16H17NO3S2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.06498575
Names & identifiers
- Preferred name
- O-ethyl 4-[(4-methylphenyl)sulfamoyl]benzenecarbothioate
- IUPAC
- O-ethyl 4-[(4-methylphenyl)sulfamoyl]benzenecarbothioate
Names & synonyms
NSC22160956768-73-1DTXSID60310031NSC-221609O-Ethyl 4-[(4-methylphenyl)sulfamoyl]benzene-1-carbothioate
Database identifiers
- CAS
56768-73-1- PubChem CID
- 312263
- DTXSID
DTXSID60310031
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
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Related reactions
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Compound notes
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