| CAS Number | 1936332-28-3 |
| Catalog Number | AG01B2FO |
| Chemical Name | 2-(1,2,5-thiadiazol-3-yl)acetonitrile |
| IUPAC Name | 2-(1,2,5-thiadiazol-3-yl)acetonitrile |
| InChI | InChI=1S/C4H3N3S/c5-2-1-4-3-6-8-7-4/h3H,1H2 |
| InChI Key | CNYSZDLVMBPLAA-UHFFFAOYSA-N |
| MDL Number | MFCD29991596 |
| Molecular Formula | C4H3N3S |
| Molecular Weight | 125.1517 |
| SMILES | N#CCC1=NSN=C1 |
| Synonyms | 2-(1,2,5-thiadiazol-3-yl)acetonitrile,
1936332-28-3,
ZINC261040129,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.149g/mol |
| Monoisotopic Mass | 125.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Lot Number