| CAS Number | 1448583-31-0 |
| Catalog Number | AG01A5JC |
| Chemical Name | 2-cyano-3-(thiophen-3-yl)prop-2-enamide |
| IUPAC Name | 2-cyano-3-thiophen-3-ylprop-2-enamide |
| InChI | InChI=1S/C8H6N2OS/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H2,10,11) |
| InChI Key | ZXICRUZKUISQPW-UHFFFAOYSA-N |
| MDL Number | MFCD28132462 |
| Molecular Formula | C8H6N2OS |
| Molecular Weight | 178.211 |
| SMILES | N#CC(=Cc1cscc1)C(=O)N |
| Synonyms | 1448583-31-0,
2-cyano-3-(thiophen-3-yl)prop-2-enamide,
AC1MMGAD,
AKOS026726338,
2-cyano-3-thiophen-3-ylprop-2-enamide,
CID3285526,
2-cyano-3-thiophen-3-yl-prop-2-enamide,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.209g/mol |
| Monoisotopic Mass | 178.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number