| CAS Number | 32427-84-2 |
| Catalog Number | AG00C5RI(AGN-PC-0WB3II) |
| Chemical Name | 1-(2,5-dimethyl-3-thienyl)propan-1-one |
| IUPAC Name | 1-(2,5-dimethylthiophen-3-yl)propan-1-one |
| InChI | InChI=1S/C9H12OS/c1-4-9(10)8-5-6(2)11-7(8)3/h5H,4H2,1-3H3 |
| InChI Key | FFXXALUAXRWQPV-UHFFFAOYSA-N |
| MDL Number | MFCD08059888 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.2560 |
| SMILES | C1(C(CC)=O)C=C(SC=1C)C |
| Synonyms | 32427-84-2,
1-(2,5-Dimethylthiophen-3-yl)propan-1-one,
1-(2,5-DIMETHYL-3-THIENYL)PROPAN-1-ONE,
CTK4G8679,
DTXSID50650857,
CHEMBRDG-BB 4012560,
MFCD08059888,
ZINC19089777,
AKOS009163888,
MCULE-8941281209,
AJ-71265,
1-(2,5-Dimethyl-3-thienyl)-1-propanone,
Y-3455,
CHEMBRDG-BB4012560,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.254g/mol |
| Monoisotopic Mass | 168.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number