| CAS Number | 1210478-20-8 |
| Catalog Number | AG01APMR(AGN-PC-0WCNQE) |
| Chemical Name | 5-methyl-1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C7H6N4O2S/c1-4-5(6(12)13)9-10-11(4)7-8-2-3-14-7/h2-3H,1H3,(H,12,13) |
| InChI Key | QASXTNWTFRDDCO-UHFFFAOYSA-N |
| MDL Number | MFCD19279387 |
| Molecular Formula | C7H6N4O2S |
| Molecular Weight | 210.2131 |
| SMILES | CC1N(C2SC=CN=2)N=NC=1C(O)=O |
| Synonyms | 5-methyl-1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acid,
1210478-20-8,
ZINC61957855,
AKOS015958040,
MCULE-1408677309,
L-3920,
F2145-0315,
5-methyl-1-(1,3-thiazol-2-yl)-1,2,3-triazole-4-carboxylic acid,
5-methyl-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.211g/mol |
| Monoisotopic Mass | 210.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number