| CAS Number | 954377-22-1 |
| Catalog Number | AG01BBVD |
| Chemical Name | 5-(Trifluoromethyl)thiophene-2-sulfonyl chloride |
| IUPAC Name | 5-(trifluoromethyl)thiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C5H2ClF3O2S2/c6-13(10,11)4-2-1-3(12-4)5(7,8)9/h1-2H |
| InChI Key | PWVUZSSHOGAMPC-UHFFFAOYSA-N |
| MDL Number | MFCD27934701 |
| Molecular Formula | C5H2ClF3O2S2 |
| Molecular Weight | 250.6464 |
| SMILES | FC(C1SC(S(Cl)(=O)=O)=CC=1)(F)F |
| Synonyms | 5-(trifluoromethyl)thiophene-2-sulfonyl chloride,
954377-22-1,
2-Thiophenesulfonyl chloride, 5-(trifluoromethyl)-,
SCHEMBL1085740,
PWVUZSSHOGAMPC-UHFFFAOYSA-N,
ZINC115197976,
SY202309,
5-trifluoromethyl-thiophene-2-sulfonylchloride,
MFCD27934701 (95%),
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number