| CAS Number | 27049-94-1 |
| Catalog Number | AG01DWAC(AGN-PC-00MBOG) |
| Chemical Name | (5-Methylthiophen-2-yl)(phenyl)methanone |
| IUPAC Name | (5-methylthiophen-2-yl)-phenylmethanone |
| InChI | InChI=1S/C12H10OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChI Key | NZQSKSSFQCFCMX-UHFFFAOYSA-N |
| MDL Number | MFCD11105588 |
| Molecular Formula | C12H10OS |
| Molecular Weight | 202.2722 |
| SMILES | CC1SC(C(C2=CC=CC=C2)=O)=CC=1 |
| Synonyms | (5-methylthiophen-2-yl)(phenyl)methanone,
27049-94-1,
2-Benzoyl-5-methylthiophene,
SCHEMBL11403347,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.271g/mol |
| Monoisotopic Mass | 202.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number