| CAS Number | 1519773-90-0 |
| Catalog Number | AG01BXSH |
| Chemical Name | [5-(Trifluoromethyl)thiophen-3-yl]methanamine |
| IUPAC Name | [5-(trifluoromethyl)thiophen-3-yl]methanamine |
| InChI | InChI=1S/C6H6F3NS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3H,2,10H2 |
| InChI Key | FVTUPSGMSCIQAI-UHFFFAOYSA-N |
| MDL Number | MFCD26516701 |
| Molecular Formula | C6H6F3NS |
| Molecular Weight | 181.1787 |
| SMILES | NCC1C=C(C(F)(F)F)SC=1 |
| Synonyms | [5-(trifluoromethyl)thiophen-3-yl]methanamine,
1519773-90-0,
ZINC83273876,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.176g/mol |
| Monoisotopic Mass | 181.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number