| CAS Number | 1094219-65-4 |
| Catalog Number | AG01AA2O(AGN-PC-0WO9BE) |
| Chemical Name | 2-[2-(4H-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C7H6N4O2S/c12-5(13)1-4-2-14-7(10-4)6-8-3-9-11-6/h2-3H,1H2,(H,12,13)(H,8,9,11) |
| InChI Key | SANYHWBNPSXCQX-UHFFFAOYSA-N |
| MDL Number | MFCD11180936 |
| Molecular Formula | C7H6N4O2S |
| Molecular Weight | 210.2131 |
| SMILES | OC(CC1N=C(C2NC=NN=2)SC=1)=O |
| Synonyms | 2-[2-(4H-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]acetic acid,
1094219-65-4,
AC1Q751A,
ZINC36895570,
AKOS009310760,
MCULE-7161061780,
NE46721,
EN300-66870,
Z1171979276,
|
| Complexity | 228 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.211g/mol |
| Monoisotopic Mass | 210.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number