| CAS Number | 901272-95-5 |
| Catalog Number | AG019O4B |
| Chemical Name | 2-sulfanyl-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-one |
| IUPAC Name | 2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one |
| InChI | InChI=1S/C10H7F3N2O2S/c11-10(12,13)17-7-3-1-6(2-4-7)15-8(16)5-14-9(15)18/h1-4H,5H2,(H,14,18) |
| InChI Key | ZACIQXMURWOLQC-UHFFFAOYSA-N |
| MDL Number | MFCD06655459 |
| Molecular Formula | C10H7F3N2O2S |
| Molecular Weight | 276.2350 |
| SMILES | FC(OC1=CC=C(N2C(=O)CN=C2S)C=C1)(F)F |
| Synonyms | 2-sulfanyl-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-one,
901272-95-5,
2-mercapto-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one,
AC1M9LAK,
AC1Q4KET,
CTK8A8243,
ZINC3440583,
AKOS034636871,
MCULE-3714421543,
NE35088,
EN300-12734,
Z85921939,
2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one,
ZINC03440583,
CID2560542,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.233g/mol |
| Monoisotopic Mass | 276.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number