Ethyl 4-[(ethylcarbamothioyl)amino]benzoate
Basic information
- CAS
19340-42-2- Standard SMILES
CCNC(=S)Nc1ccc(C(=O)OCC)cc1- InChIKey
WIGNKAZCTOXTLY-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- Ethyl 4-[(ethylcarbamothioyl)amino]benzoate
- IUPAC
- ethyl 4-(ethylcarbamothioylamino)benzoate
- English name
- ethyl 4-[(ethylcarbamothioyl)amino]benzoate
- Molecular formula
- C12H16N2O2S
- Molecular weight
- 252.33
Names & synonyms
ethyl 4-[(ethylcarbamothioyl)amino]benzoate19340-42-2ETHYL 4-(ETHYLTHIOCARBAMOYLAMINO)BENZOATEST50036611NSC528199Oprea1_644128DTXSID40357500STK126112AKOS002162039NSC-528199DS-0110271-(4-ETHOXYCARBONYL)-3-ETHYL-2-THIOUREA
Show more names
Benzoic acid, 4-[[(ethylamino)thioxomethyl]amino]-, ethyl ester
ethyl 4-{[(ethylamino)thioxomethyl]amino}benzoate
Database identifiers
- CAS
19340-42-2- PubChem CID
- 853802
- DTXSID
DTXSID40357500
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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