| CAS Number | 70201-55-7 |
| Catalog Number | AG019ZWV(AGN-PC-00LI19) |
| Chemical Name | 1-[2-(Ethylsulfanyl)phenyl]ethan-1-one |
| IUPAC Name | 1-(2-ethylsulfanylphenyl)ethanone |
| InChI | InChI=1S/C10H12OS/c1-3-12-10-7-5-4-6-9(10)8(2)11/h4-7H,3H2,1-2H3 |
| InChI Key | DRZLTLOQRZJNCW-UHFFFAOYSA-N |
| MDL Number | MFCD11136965 |
| Molecular Formula | C10H12OS |
| Molecular Weight | 180.2667 |
| SMILES | CCSC1=C(C(C)=O)C=CC=C1 |
| Synonyms | 1-[2-(ethylsulfanyl)phenyl]ethan-1-one,
70201-55-7,
o-ethylmercapto-acetophenone,
1-(2-(ethylthio)phenyl)ethanone,
2'-ethylsulfanylacetophenone,
SCHEMBL4436794,
DRZLTLOQRZJNCW-UHFFFAOYSA-N,
ZINC19871657,
AKOS000219481,
MCULE-4484259642,
NE38567,
RP24180,
Z1416200833,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.265g/mol |
| Monoisotopic Mass | 180.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number