| CAS Number | 88701-59-1 |
| Catalog Number | AG01AJV3(AGN-PC-0VNBEA) |
| Chemical Name | 2-(Thiophen-2-yl)propanenitrile |
| IUPAC Name | 2-thiophen-2-ylpropanenitrile |
| InChI | InChI=1S/C7H7NS/c1-6(5-8)7-3-2-4-9-7/h2-4,6H,1H3 |
| InChI Key | QTOABKRIUPTTPQ-UHFFFAOYSA-N |
| MDL Number | MFCD11592186 |
| Molecular Formula | C7H7NS |
| Molecular Weight | 137.2022 |
| SMILES | CC(C1SC=CC=1)C#N |
| Synonyms | 2-(thiophen-2-yl)propanenitrile,
88701-59-1,
2-Thiopheneacetonitrile, alpha-methyl-,
SCHEMBL9442383,
AKOS010590739,
MCULE-1043411956,
NE32566,
EN300-81979,
Z1235963394,
2-thiophen-2-ylpropanenitrile,
CID10942499,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.2g/mol |
| Monoisotopic Mass | 137.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number