| CAS Number | 885229-41-4 |
| Catalog Number | AG00IF4J(AGN-PC-0WCYSX) |
| Chemical Name | 1-(2-Chlorothiazol-5-yl)ethanone |
| IUPAC Name | 1-(2-chloro-1,3-thiazol-5-yl)ethanone |
| InChI | InChI=1S/C5H4ClNOS/c1-3(8)4-2-7-5(6)9-4/h2H,1H3 |
| InChI Key | FEFASRDHSOUVEG-UHFFFAOYSA-N |
| MDL Number | MFCD11847548 |
| Molecular Formula | C5H4ClNOS |
| Molecular Weight | 161.6094 |
| SMILES | CC(C1=CN=C(Cl)S1)=O |
| Synonyms | 1-(2-Chlorothiazol-5-yl)ethanone,
885229-41-4,
1-(2-chloro-1,3-thiazol-5-yl)ethanone,
1-(2-chloro-1,3-thiazol-5-yl)ethan-1-one,
SCHEMBL2057950,
FEFASRDHSOUVEG-UHFFFAOYSA-N,
ZINC36533672,
1-(2-Chloro-thiazol-5-yl)-ethanone,
ACN-054377,
FCH1121009,
Ethanone, 1-(2-chloro-5-thiazolyl)-,
AS-47297,
SC-33352,
AX8310906,
CS-0060854,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.970213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.61g/mol |
| Monoisotopic Mass | 160.970213g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number