| CAS Number | 704870-71-3 |
| Catalog Number | AG00IC2G |
| Chemical Name | 2-Amino-4-phenyl-1,3-thiazole-5-carbonitrile |
| IUPAC Name | 2-amino-4-phenyl-1,3-thiazole-5-carbonitrile |
| InChI | InChI=1S/C10H7N3S/c11-6-8-9(13-10(12)14-8)7-4-2-1-3-5-7/h1-5H,(H2,12,13) |
| InChI Key | JHEXUURKXQZMDP-UHFFFAOYSA-N |
| MDL Number | MFCD22683032 |
| Molecular Formula | C10H7N3S |
| Molecular Weight | 201.2477 |
| SMILES | NC=1SC(=C(N1)C1=CC=CC=C1)C#N |
| Synonyms | 704870-71-3,
2-Amino-4-Phenylthiazole-5-carbonitrile,
2-Amino-5-cyano-4-phenylthiazole,
2-amino-4-phenyl-1,3-thiazole-5-carbonitrile,
SCHEMBL1449744,
JHEXUURKXQZMDP-UHFFFAOYSA-N,
MFCD22683032,
ZINC77297038,
AKOS023256082,
amino-4-phenyl-thiazole-5-carbonitrile,
2-Amino-4-phenyl-thiazole-5-carbonitrile,
5-Thiazolecarbonitrile, 2-amino-4-phenyl-,
2-Amino-4-phenyl-1,3-thiazol-5-carbonitrile,
2-Amino-5-cyano-4-phenylthiazole, AldrichCPR,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.247g/mol |
| Monoisotopic Mass | 201.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number