| CAS Number | 1510899-06-5 |
| Catalog Number | AG01C5T0 |
| Chemical Name | 2-(thiophene-3-carbonyl)pentanenitrile |
| IUPAC Name | 2-(thiophene-3-carbonyl)pentanenitrile |
| InChI | InChI=1S/C10H11NOS/c1-2-3-8(6-11)10(12)9-4-5-13-7-9/h4-5,7-8H,2-3H2,1H3 |
| InChI Key | RBKAHDVCLGWJML-UHFFFAOYSA-N |
| MDL Number | MFCD21916947 |
| Molecular Formula | C10H11NOS |
| Molecular Weight | 193.2654 |
| SMILES | CCCC(C(C1=CSC=C1)=O)C#N |
| Synonyms | 2-(thiophene-3-carbonyl)pentanenitrile,
1510899-06-5,
AKOS017958176,
|
| Complexity | 230 |
| 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 | 4 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number