| CAS Number | 60271-29-6 |
| Catalog Number | AG019VK5(AGN-PC-0NKNFQ) |
| Chemical Name | 2-Amino-5-phenylthiophene-3-carbonitrile |
| IUPAC Name | 2-amino-5-phenylthiophene-3-carbonitrile |
| InChI | InChI=1S/C11H8N2S/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2 |
| InChI Key | WEAZGHUZIQFNLY-UHFFFAOYSA-N |
| MDL Number | MFCD06803446 |
| Molecular Formula | C11H8N2S |
| Molecular Weight | 200.2596 |
| SMILES | N#Cc1cc(sc1N)c1ccccc1 |
| Synonyms | 2-amino-5-phenylthiophene-3-carbonitrile,
60271-29-6,
EN300-45475,
2-amino-3-cyano-5-phenylthiophene,
AC1Q50S3,
SCHEMBL2652713,
CTK7C7377,
ZINC20368979,
AKOS003040240,
BBV-213316,
FCH5340074,
MCULE-6585530978,
NE33036,
NCGC00338888-01,
AB01006909-01,
AB01006909-03,
Z594272038,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.259g/mol |
| Monoisotopic Mass | 200.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number