| CAS Number | 1427502-13-3 |
| Catalog Number | AG00HWMB |
| Chemical Name | 5-Aminoisothiazole-4-carbonitrile |
| IUPAC Name | 5-amino-1,2-thiazole-4-carbonitrile |
| InChI | InChI=1S/C4H3N3S/c5-1-3-2-7-8-4(3)6/h2H,6H2 |
| InChI Key | FPERFRLFGKKUDQ-UHFFFAOYSA-N |
| MDL Number | MFCD23703364 |
| Molecular Formula | C4H3N3S |
| Molecular Weight | 125.1517 |
| SMILES | N#CC1=C(N)SN=C1 |
| Synonyms | 5-AMINOISOTHIAZOLE-4-CARBONITRILE,
1427502-13-3,
5-amino-1,2-thiazole-4-carbonitrile,
SCHEMBL5154414,
MFCD23703364,
ZINC95643085,
AS-41571,
X-2366,
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| Complexity | 127 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.149g/mol |
| Monoisotopic Mass | 125.005g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number