| CAS Number | 1087797-88-3 |
| Catalog Number | AG019QS3 |
| Chemical Name | 2,2,2-Trifluoroethyl 3-(methylthio)phenylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3-methylsulfanylphenyl)carbamate |
| InChI | InChI=1S/C10H10F3NO2S/c1-17-8-4-2-3-7(5-8)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15) |
| InChI Key | SDNLKHOWKPXPKJ-UHFFFAOYSA-N |
| MDL Number | MFCD11099775 |
| Molecular Formula | C10H10F3NO2S |
| Molecular Weight | 265.2521 |
| SMILES | CSC1=CC(NC(OCC(F)(F)F)=O)=CC=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-[3-(methylsulfanyl)phenyl]carbamate,
1087797-88-3,
2,2,2-trifluoroethyl 3-(methylthio)phenylcarbamate,
AC1Q4GXM,
CTK7B5146,
ZINC32628738,
AKOS009101716,
NE55960,
EN300-88250,
|
| Complexity | 260 |
| 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 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number