| CAS Number | 84702-96-5 |
| Catalog Number | AG01DQC3(AGN-PC-0CROZT) |
| Chemical Name | 1-[5-(2-methylpropyl)thiophen-2-yl]ethan-1-one |
| IUPAC Name | 1-[5-(2-methylpropyl)thiophen-2-yl]ethanone |
| InChI | InChI=1S/C10H14OS/c1-7(2)6-9-4-5-10(12-9)8(3)11/h4-5,7H,6H2,1-3H3 |
| InChI Key | OARPIKYRAJLSCE-UHFFFAOYSA-N |
| MDL Number | MFCD27956349 |
| Molecular Formula | C10H14OS |
| Molecular Weight | 182.2826 |
| SMILES | CC(CC1SC(C(C)=O)=CC=1)C |
| Synonyms | 1-[5-(2-methylpropyl)thiophen-2-yl]ethan-1-one,
84702-96-5,
SCHEMBL261445,
OARPIKYRAJLSCE-UHFFFAOYSA-N,
1-(5-Isobutyl-thiophen-2-yl)-ethanone,
1-(5-isobutyl-[2]thienyl)-ethanone,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.281g/mol |
| Monoisotopic Mass | 182.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number