| CAS Number | 464935-24-8 |
| Catalog Number | AG019QSM(AGN-PC-00JOS4) |
| Chemical Name | 2,2,2-Trifluoroethyl 4-(methylthio)phenylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-methylsulfanylphenyl)carbamate |
| InChI | InChI=1S/C10H10F3NO2S/c1-17-8-4-2-7(3-5-8)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15) |
| InChI Key | MMKZNQXVJNYBRS-UHFFFAOYSA-N |
| MDL Number | MFCD11099796 |
| Molecular Formula | C10H10F3NO2S |
| Molecular Weight | 265.2521 |
| SMILES | CSC1=CC=C(NC(OCC(F)(F)F)=O)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-[4-(methylsulfanyl)phenyl]carbamate,
464935-24-8,
2,2,2-trifluoroethyl 4-(methylthio)phenylcarbamate,
AC1Q4H1H,
CTK7B5025,
ZINC32628770,
AKOS005875290,
NE55400,
EN300-88269,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.25g/mol |
| Monoisotopic Mass | 265.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number