| CAS Number | 113867-94-0 |
| Catalog Number | AG01BBMA(AGN-PC-002YAE) |
| Chemical Name | 2-(5-Methylthiophen-2-yl)acetonitrile |
| IUPAC Name | 2-(5-methylthiophen-2-yl)acetonitrile |
| InChI | InChI=1S/C7H7NS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4H2,1H3 |
| InChI Key | RJSXCQGCONCDBE-UHFFFAOYSA-N |
| MDL Number | MFCD16715913 |
| Molecular Formula | C7H7NS |
| Molecular Weight | 137.2022 |
| SMILES | CC1SC(CC#N)=CC=1 |
| Synonyms | 2-(5-methylthiophen-2-yl)acetonitrile,
113867-94-0,
SCHEMBL11153213,
5-Methylthiophene-2-acetonitrile,
2-Thiopheneacetonitrile, 5-methyl-,
ZINC34406436,
AKOS011637545,
Z2108806736,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number