Basic information
- CAS
313514-00-0- Standard SMILES
CCOC(=O)c1sc(=S)n(-c2ccccc2Cl)c1C- InChIKey
RTFTYIBDLHLYTH-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO2S2
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 312.9997987
Names & identifiers
- Preferred name
- Ethyl 3-(2-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 3-(2-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Names & synonyms
ethyl 3-(2-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylateethyl 3-(2-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylateETHYL 3-(2-CHLOROPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXYLATE313514-00-0MLS000769159CHEMBL1566589DTXSID901333758HMS2781P05STK865594AKOS001698021CCG-118789SMR000433893
Show more names
ST0991673-(2-Chloro-phenyl)-4-methyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl esterethyl 3-(2-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
Database identifiers
- CAS
313514-00-0- PubChem CID
- 950586
- DTXSID
DTXSID901333758- ChEMBL
CHEMBL1566589
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Solubility2.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…