| CAS Number | 609354-98-5 |
| Catalog Number | AG00J2L2(AGN-PC-00UYJ8) |
| Chemical Name | 2-[(trifluoromethyl)thio]ethanamine |
| IUPAC Name | 2-(trifluoromethylsulfanyl)ethanamine |
| InChI | InChI=1S/C3H6F3NS/c4-3(5,6)8-2-1-7/h1-2,7H2 |
| InChI Key | PQTQMKOWDYNUNW-UHFFFAOYSA-N |
| MDL Number | MFCD09040767 |
| Molecular Formula | C3H6F3NS |
| Molecular Weight | 145.1466 |
| SMILES | C(F)(F)(F)SCCN |
| Synonyms | 609354-98-5,
2-[(trifluoromethyl)thio]ethanamine,
2-((Trifluoromethyl)thio)ethanamine,
2-Trifluoromethylsulfanyl-ethylamine,
SCHEMBL9936415,
CTK7E9383,
ZINC19427033,
AKOS000172746,
MCULE-9724016953,
[2-[(Trifluoromethyl)sulfanyl]ethyl]amine,
2-[(trifluoromethyl)sulfanyl]ethan-1-amine,
EN300-40766,
Y-4839,
AC1Q54NT,
AJ-73443,
|
| Complexity | 62 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.017305g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.15g/mol |
| Monoisotopic Mass | 145.017305g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number