| CAS Number | 105558-72-3 |
| Catalog Number | AG01A2SC(AGN-PC-00NSJ8) |
| Chemical Name | 2-Amino-4-ethoxythiophene-3-carbonitrile |
| IUPAC Name | 2-amino-4-ethoxythiophene-3-carbonitrile |
| InChI | InChI=1S/C7H8N2OS/c1-2-10-6-4-11-7(9)5(6)3-8/h4H,2,9H2,1H3 |
| InChI Key | FPLKSYDDWQIJCU-UHFFFAOYSA-N |
| MDL Number | MFCD20702489 |
| Molecular Formula | C7H8N2OS |
| Molecular Weight | 168.2162 |
| SMILES | N#CC1=C(N)SC=C1OCC |
| Synonyms | 2-amino-4-ethoxythiophene-3-carbonitrile,
105558-72-3,
SCHEMBL2185247,
FPLKSYDDWQIJCU-UHFFFAOYSA-N,
2-amino-3-cyano-4-ethoxythiophene,
ZINC34140350,
AKOS022637665,
NE16680,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.214g/mol |
| Monoisotopic Mass | 168.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number