Basic information
- CAS
54001-07-9- Standard SMILES
CC(=O)c1sc(-c2ccc(Cl)cc2)nc1C- InChIKey
XMWJEFHMMZUNES-UHFFFAOYSA-N- Molecular formula
- C12H10ClNOS
- Average molar mass
- 251.73 g/mol
- Monoisotopic mass
- 251.01716262
Names & identifiers
- Preferred name
- 1-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-one
- IUPAC
- 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
- English name
- 1-[2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOL-5-YL]-1-ETHANONE
- Molecular formula
- C12H10ClNOS
- Molecular weight
- 251.73
Names & synonyms
54001-07-91-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-oneDTXSID703695101-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-oneRefChem:1053881DTXCID303205461-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone1-(2-(4-Chlorophenyl)-4-methylthiazol-5-yl)ethanoneMFCD018716151-(2-(4-Chlorophenyl)-4-methylthiazol-5-yl)ethan-1-one5-acetyl-2-(4-chlorophenyl)-4-methyl-1,3-thiazole
Show more names
Ethanone, 1-[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]-
Maybridge1_006553MLS000721281SCHEMBL1574466SCHEMBL38440471-[2-(4-chlorophenyl)-4-methylthiazol-5-yl]-ethanoneCHEMBL1488781HMS560B19HMS2670I12
Database identifiers
- CAS
54001-07-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
Solubility<0.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 125 · 125-127°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers6 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
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