O-ethyl 4-(naphthalen-1-ylsulfamoyl)benzenecarbothioate
Basic information
- CAS
56768-72-0- Standard SMILES
CCOC(=S)c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1- InChIKey
VFKSZVQTXTVHQS-UHFFFAOYSA-N- Molecular formula
- C19H17NO3S2
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.06498575
Names & identifiers
- Preferred name
- O-ethyl 4-(naphthalen-1-ylsulfamoyl)benzenecarbothioate
- IUPAC
- O-ethyl 4-(naphthalen-1-ylsulfamoyl)benzenecarbothioate
Names & synonyms
NSC22160856768-72-0DTXSID00310030ZINC01756057NSC-221608O-Ethyl 4-[(naphthalen-1-yl)sulfamoyl]benzene-1-carbothioate
Database identifiers
- CAS
56768-72-0- PubChem CID
- 312262
- DTXSID
DTXSID00310030
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 550
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Compound notes
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