| CAS Number | 1250351-55-3 |
| Catalog Number | AG01C5LI |
| Chemical Name | 3-methyl-2-(thiophene-3-carbonyl)butanenitrile |
| IUPAC Name | 3-methyl-2-(thiophene-3-carbonyl)butanenitrile |
| InChI | InChI=1S/C10H11NOS/c1-7(2)9(5-11)10(12)8-3-4-13-6-8/h3-4,6-7,9H,1-2H3 |
| InChI Key | KSDDSDKDORRZOE-UHFFFAOYSA-N |
| MDL Number | MFCD14621508 |
| Molecular Formula | C10H11NOS |
| Molecular Weight | 193.2654 |
| SMILES | CC(C(C(C1=CSC=C1)=O)C#N)C |
| Synonyms | 3-methyl-2-(thiophene-3-carbonyl)butanenitrile,
1250351-55-3,
AKOS010567306,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.264g/mol |
| Monoisotopic Mass | 193.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number