| CAS Number | 75028-16-9 |
| Catalog Number | AG00GR36(AGN-PC-00N4Y4) |
| Chemical Name | Methyl 5-amino-1,2,4-thiadiazole-3-carboxylate |
| IUPAC Name | methyl 5-amino-1,2,4-thiadiazole-3-carboxylate |
| InChI | InChI=1S/C4H5N3O2S/c1-9-3(8)2-6-4(5)10-7-2/h1H3,(H2,5,6,7) |
| InChI Key | HUTKBOFGPQYVEI-UHFFFAOYSA-N |
| MDL Number | MFCD11975637 |
| Molecular Formula | C4H5N3O2S |
| Molecular Weight | 159.1664 |
| SMILES | COC(=O)C1=NSC(=N1)N |
| Synonyms | METHYL 5-AMINO-1,2,4-THIADIAZOLE-3-CARBOXYLATE,
75028-16-9,
SCHEMBL5391630,
HUTKBOFGPQYVEI-UHFFFAOYSA-N,
ZINC34092491,
AKOS015958879,
SC-33385,
Z2010041962,
1,2,4-Thiadiazole-3-carboxylic acid, 5-amino-, methyl ester,
1,2,4-Thiadiazole-3-carboxylicacid,5-amino-,methylester,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.163g/mol |
| Monoisotopic Mass | 159.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number