3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid
3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid
Also Known As: Penicillin-V sulphoxide|CHEMBRDG-BB 6511159|CHEMBRDG-BB6511159|3-(4-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid|W-9804|3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylic acid|3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid|3-(4-Chloro-phenyl)-4-methyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid|3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-c arboxylic acid|3-(4-CHLOROPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXYLIC ACID
| Molecular Formula | C11H8ClNO2S2 |
|---|---|
| Molecular Weight | 284.9685 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.9685 |
| Monoisotopic Mass | 284.9685 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 488804-08-6 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | IAQINBZWTJNCJO-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid (CAS 488804-08-6), with molecular formula C11H8ClNO2S2 and molecular weight 284.9685 g/mol. IUPAC: 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid.
3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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