O-ethyl 4-[(4-ethoxyphenyl)sulfamoyl]benzenecarbothioate
Basic information
- CAS
56768-74-2- Standard SMILES
CCOC(=S)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1- InChIKey
VRTHNNLHPNHGEM-UHFFFAOYSA-N- Molecular formula
- C17H19NO4S2
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.07555043
Names & identifiers
- Preferred name
- O-ethyl 4-[(4-ethoxyphenyl)sulfamoyl]benzenecarbothioate
- IUPAC
- O-ethyl 4-[(4-ethoxyphenyl)sulfamoyl]benzenecarbothioate
Names & synonyms
NSC22161056768-74-2DTXSID20310032NSC-221610O-Ethyl 4-[(4-ethoxyphenyl)sulfamoyl]benzene-1-carbothioate
Database identifiers
- CAS
56768-74-2- PubChem CID
- 312264
- DTXSID
DTXSID20310032
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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