Basic information
- CAS
587850-15-5- Standard SMILES
CCOC(=O)c1ccc(NC(=S)N2CCSC2c2ccc(Cl)cc2Cl)cc1- InChIKey
SULBQXSQLGJCKC-UHFFFAOYSA-N- Molecular formula
- C19H18Cl2N2O2S2
- Average molar mass
- 441.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-({[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate
- IUPAC
- ethyl 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate
- English name
- Benzoic acid, 4-[[[2-(2,4-dichlorophenyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)
- Molecular formula
- C19H18Cl2N2O2S2
- Molecular weight
- 441.39
Names & synonyms
ethyl 4-({[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoateSTK113552AKOS003319570AKOS022081601ethyl 4-(2-(2,4-dichlorophenyl)thiazolidine-3-carbothioamido)benzoateBenzoic acid, 4-[[[2-(2,4-dichlorophenyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl esterBenzoic acid, 4-[[[2-(2,4-dichlorophenyl)-3-thiazolidinyl]thioxomethyl]amino]-, ethyl ester (9CI)
Database identifiers
- CAS
587850-15-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Chemistry & industry
Suppliers4 total
CHEMSTEP[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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