| CAS Number | 96356-12-6 |
| Catalog Number | AG00IJSZ(AGN-PC-00MJAX) |
| Chemical Name | 2-(2-Methylimidazo[2,1-B][1,3,4]Thiadiazol-6-Yl)Acetic Acid |
| IUPAC Name | 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetic acid |
| InChI | InChI=1S/C7H7N3O2S/c1-4-9-10-3-5(2-6(11)12)8-7(10)13-4/h3H,2H2,1H3,(H,11,12) |
| InChI Key | UXNWAVVHBGSHCY-UHFFFAOYSA-N |
| MDL Number | MFCD11886715 |
| Molecular Formula | C7H7N3O2S |
| Molecular Weight | 197.2144 |
| SMILES | Cc1nn2c(s1)nc(c2)CC(=O)O |
| Synonyms | 2-(2-Methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetic acid,
96356-12-6,
Imidazo[2,1-b]-1,3,4-thiadiazole-6-acetic acid, 2-methyl-,
SCHEMBL2436569,
UXNWAVVHBGSHCY-UHFFFAOYSA-N,
MFCD11886715,
ZINC31974120,
CS-0038804,
Imidazo[2,1-b]-1,3,4-thiadiazole-6-aceticacid,2-methyl-,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.212g/mol |
| Monoisotopic Mass | 197.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number