Benzoic acid, 2-[[(4-methylphenyl)amino]thio]-, ethyl ester
Basic information
- CAS
444993-97-9- Standard SMILES
CCOC(=O)c1ccccc1SNc1ccc(C)cc1- InChIKey
TYAQDIWQXABGPX-UHFFFAOYSA-N- Molecular formula
- C16H17NO2S
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.09799996
Names & identifiers
- Preferred name
- Benzoic acid, 2-[[(4-methylphenyl)amino]thio]-, ethyl ester
- IUPAC
- ethyl 2-(4-methylanilino)sulfanylbenzoate
Names & synonyms
444993-97-9Benzoic acid, 2-[[(4-methylphenyl)amino]thio]-, ethyl esterDTXSID80439359Ethyl 2-[(4-methylanilino)sulfanyl]benzoate
Database identifiers
- CAS
444993-97-9- PubChem CID
- 10401807
- DTXSID
DTXSID80439359- Nikkaji
- J1.648.731G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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