Basic information
- CAS
178870-08-1- Standard SMILES
CCC(CC)OC(=O)c1cc(NC(=S)c2ccccc2N)ccc1Cl- InChIKey
KMPBZWOYKKUUCR-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O2S
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 376.1012268
Names & identifiers
- Preferred name
- Benzoic acid, 5-(((2-aminophenyl)thioxomethyl)amino)-2-chloro-, 1-ethylpropyl ester
- IUPAC
- pentan-3-yl 5-[(2-aminobenzenecarbothioyl)amino]-2-chlorobenzoate
Names & synonyms
178870-08-1Benzoic acid, 5-(((2-aminophenyl)thioxomethyl)amino)-2-chloro-, 1-ethylpropyl esterEthylpropyl 5-(((2-aminophenyl)thioxomethyl)amino)-2-chlorobenzoateEthylpropyl 5-{[(2-aminophenyl)thioxomethyl]amino}-2-chlorobenzoateBenzoic acid, 5-[[(2-aminophenyl)thioxomethyl]amino]-2-chloro-, 1-ethylpropyl esterDTXSID901705641-ethylpropyl 5-[(2-aminobenzenecarbothioyl)amino]-2-chloro-benzoatePentan-3-yl 5-[(2-aminobenzene-1-carbothioyl)amino]-2-chlorobenzoate
Database identifiers
- CAS
178870-08-1- PubChem CID
- 3000978
- DTXSID
DTXSID90170564
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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