| CAS Number | 1152599-58-0 |
| Catalog Number | AG019XYZ(AGN-PC-0WOB8I) |
| Chemical Name | 2-(5-Chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C9H6ClNO2S2/c1-4-7(9(12)13)15-8(11-4)5-2-3-6(10)14-5/h2-3H,1H3,(H,12,13) |
| InChI Key | OFMVDFXUDAXHFT-UHFFFAOYSA-N |
| MDL Number | MFCD11104838 |
| Molecular Formula | C9H6ClNO2S2 |
| Molecular Weight | 259.7324 |
| SMILES | CC1=C(C(O)=O)SC(C2SC(Cl)=CC=2)=N1 |
| Synonyms | 2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid,
1152599-58-0,
AC1Q2GEZ,
CHEMBL3466732,
SCHEMBL10049087,
CTK6H1603,
ZINC34975143,
AKOS009328150,
MCULE-1427305692,
NE39475,
EN300-56435,
Z910841924,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.722g/mol |
| Monoisotopic Mass | 258.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number