| CAS Number | 774230-95-4 |
| Catalog Number | AG00ICUS(AGN-PC-0WCKJP) |
| Chemical Name | 5-Chlorothiazole-2-ethanone |
| IUPAC Name | 1-(5-chloro-1,3-thiazol-2-yl)ethanone |
| InChI | InChI=1S/C5H4ClNOS/c1-3(8)5-7-2-4(6)9-5/h2H,1H3 |
| InChI Key | UKLGUUBFTAJPJP-UHFFFAOYSA-N |
| MDL Number | MFCD09842149 |
| Molecular Formula | C5H4ClNOS |
| Molecular Weight | 161.6094 |
| SMILES | ClC1=CN=C(S1)CC=O |
| Synonyms | 774230-95-4,
1-(5-chloro-1,3-thiazol-2-yl)ethan-1-one,
1-(5-Chloro-thiazol-2-yl)-ethanone,
SCHEMBL5034219,
UKLGUUBFTAJPJP-UHFFFAOYSA-N,
MFCD09842149,
ZINC22007391,
AKOS015567073,
PB35653,
SB10729,
Ethanone, 1-(5-chloro-2-thiazolyl)-,
CS-0055318,
5-Chlorothiazole-2-ethanone,
2-Acetyl-5-bromothiophene,
6310-09-4,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.603g/mol |
| Monoisotopic Mass | 160.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number