| CAS Number | 70247-64-2 |
| Catalog Number | AG01B6TO |
| Chemical Name | 2-(trifluoromethyl)-1,3-oxathiolan-2-amine |
| IUPAC Name | 2-(trifluoromethyl)-1,3-oxathiolan-2-amine |
| InChI | InChI=1S/C4H6F3NOS/c5-3(6,7)4(8)9-1-2-10-4/h1-2,8H2 |
| InChI Key | DRDOCGQMWZETRU-UHFFFAOYSA-N |
| MDL Number | MFCD20707871 |
| Molecular Formula | C4H6F3NOS |
| Molecular Weight | 173.1567 |
| SMILES | NC1(C(F)(F)F)SCCO1 |
| Synonyms | 2-(trifluoromethyl)-1,3-oxathiolan-2-amine,
70247-64-2,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.012219g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.16g/mol |
| Monoisotopic Mass | 173.012219g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 60.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number