| CAS Number | 477334-43-3 |
| Catalog Number | AG00DW46 |
| Chemical Name | 1-(4-Fluorophenyl)-3-((4-fluorophenyl)thio)propan-1-one |
| IUPAC Name | 1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one |
| InChI | InChI=1S/C15H12F2OS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-8H,9-10H2 |
| InChI Key | LWHRFLYQNNEMSY-UHFFFAOYSA-N |
| MDL Number | MFCD03934777 |
| Molecular Formula | C15H12F2OS |
| Molecular Weight | 278.3170 |
| SMILES | FC1=CC=C(SCCC(C2=CC=C(F)C=C2)=O)C=C1 |
| Synonyms | 477334-43-3,
1-(4-fluorophenyl)-3-[(4-fluorophenyl)sulfanyl]propan-1-one,
1-(4-fluorophenyl)-3-[(4-fluorophenyl)sulfanyl]-1-propanone,
AC1MTSPR,
KS-00003MHM,
ZINC2522096,
AKOS005108439,
JS-2576,
MCULE-6699425845,
NE38282,
EN300-84664,
Z1258578414,
1-(4-Fluorophenyl)-3-((4-fluorophenyl)thio)propan-1-one,
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-1-one,
1-(4-FLUOROPHENYL)-3-((4-FLUOROPHENYL)THIO)-1-PROPANONE,
CID3654940,
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-propan-1-one,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.317g/mol |
| Monoisotopic Mass | 278.058g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number