| CAS Number | 66476-44-6 |
| Catalog Number | AG00FGXF(AGN-PC-0WQUNU) |
| Chemical Name | N-Methyl-N-(trifluoromethylthio)aniline |
| IUPAC Name | N-methyl-N-(trifluoromethylsulfanyl)aniline |
| InChI | InChI=1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChI Key | TYFGNILTFVMYGX-UHFFFAOYSA-N |
| MDL Number | MFCD28384150 |
| Molecular Formula | C8H8F3NS |
| Molecular Weight | 207.2160 |
| SMILES | FC(F)(F)SN(C)C1=CC=CC=C1 |
| Synonyms | N-Methyl-N-(trifluoromethylthio)aniline,
66476-44-6,
SCHEMBL16211966,
TYFGNILTFVMYGX-UHFFFAOYSA-N,
MFCD28384150,
ZINC140500942,
M2595,
N-methyl-N-phenyl-S-(trifluoromethyl)thiohydroxylamine,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.214g/mol |
| Monoisotopic Mass | 207.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number