| CAS Number | 1034047-33-0 |
| Catalog Number | AG01DX7I |
| Chemical Name | 5-(Trifluoromethyl)thiophene-3-sulfonyl chloride |
| IUPAC Name | 5-(trifluoromethyl)thiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C5H2ClF3O2S2/c6-13(10,11)3-1-4(12-2-3)5(7,8)9/h1-2H |
| InChI Key | WPNKLVLVSSHXED-UHFFFAOYSA-N |
| MDL Number | MFCD28665253 |
| Molecular Formula | C5H2ClF3O2S2 |
| Molecular Weight | 250.6464 |
| SMILES | FC(C1SC=C(S(Cl)(=O)=O)C=1)(F)F |
| Synonyms | 1034047-33-0,
3-Thiophenesulfonyl chloride, 5-(trifluoromethyl)-,
SCHEMBL1085915,
CHEMHERE CHEM143848,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.634g/mol |
| Monoisotopic Mass | 249.914g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number