| CAS Number | 1094355-54-0 |
| Catalog Number | AG019XDU(AGN-PC-0WOAIA) |
| Chemical Name | 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H4ClNO2S2/c9-6-2-1-5(14-6)7-10-4(3-13-7)8(11)12/h1-3H,(H,11,12) |
| InChI Key | GZHZOVKNUULZDF-UHFFFAOYSA-N |
| MDL Number | MFCD07376390 |
| Molecular Formula | C8H4ClNO2S2 |
| Molecular Weight | 245.7059 |
| SMILES | OC(C1N=C(C2SC(Cl)=CC=2)SC=1)=O |
| Synonyms | 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid,
1094355-54-0,
AC1Q742A,
CTK6H1612,
ZINC36893231,
AKOS008122050,
MCULE-9854287291,
NE21053,
EN300-54753,
AB01000702-01,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.695g/mol |
| Monoisotopic Mass | 244.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number