| CAS Number | 24933-58-2 |
| Catalog Number | AG00BQI7(AGN-PC-0KI2GI) |
| Chemical Name | 2-[(Difluoromethyl)thio]aniline, HCl |
| IUPAC Name | 2-(difluoromethylsulfanyl)aniline;hydrochloride |
| InChI | InChI=1S/C7H7F2NS.ClH/c8-7(9)11-6-4-2-1-3-5(6)10;/h1-4,7H,10H2;1H |
| InChI Key | BITYAQYGHLXKMO-UHFFFAOYSA-N |
| MDL Number | MFCD06673125 |
| Molecular Formula | C7H7F2NS |
| Molecular Weight | 175.199 |
| SMILES | NC1=C(SC(F)F)C=CC=C1 |
| Synonyms | 2-[(difluoromethyl)thio]aniline hydrochloride,
2-[(difluoromethyl)sulfanyl]aniline hydrochloride,
24933-58-2,
2-((Difluoromethyl)thio)aniline hydrochloride,
29330-07-2,
AC1Q3CXA,
MFCD06673125,
AKOS027379614,
NE13416,
EN300-11001,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.655g/mol |
| Monoisotopic Mass | 211.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number