| CAS Number | 863669-60-7 |
| Catalog Number | AG019OK7 |
| Chemical Name | [4-(2-methylpropyl)phenyl](thiophen-2-yl)methanone |
| IUPAC Name | [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone |
| InChI | InChI=1S/C15H16OS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11H,10H2,1-2H3 |
| InChI Key | BWWFWPJFTJDYID-UHFFFAOYSA-N |
| MDL Number | MFCD07339180 |
| Molecular Formula | C15H16OS |
| Molecular Weight | 244.3519 |
| SMILES | CC(CC1=CC=C(C(C2SC=CC=2)=O)C=C1)C |
| Synonyms | [4-(2-methylpropyl)phenyl](thiophen-2-yl)methanone,
863669-60-7,
(4-isobutylphenyl)(thien-2-yl)methanone,
AC1OFJQ4,
AC1Q1P7W,
CTK6A7006,
ZINC4218170,
AKOS009020744,
MCULE-8921249591,
NE22751,
NCGC00329026-01,
EN300-14255,
AB01116607-03,
[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone,
Z99599708,
ZINC04218170,
CID7130608,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.352g/mol |
| Monoisotopic Mass | 244.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number