| CAS Number | 1782071-20-8 |
| Catalog Number | AG01DYWW |
| Chemical Name | 5-Amino-1,3,4-thiadiazole-2-carbonitrile |
| IUPAC Name | 5-amino-1,3,4-thiadiazole-2-carbonitrile |
| InChI | InChI=1S/C3H2N4S/c4-1-2-6-7-3(5)8-2/h(H2,5,7) |
| InChI Key | YWGJXGCTEPVJNM-UHFFFAOYSA-N |
| MDL Number | MFCD29761748 |
| Molecular Formula | C3H2N4S |
| Molecular Weight | 126.1398 |
| SMILES | NC1=NN=C(S1)C#N |
| Synonyms | 5-Amino-1,3,4-thiadiazole-2-carbonitrile,
1782071-20-8,
SCHEMBL14145645,
AKOS030626109,
ZINC148563172,
FCH4366908,
AX8275676,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.137g/mol |
| Monoisotopic Mass | 126g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number