| CAS Number | 179400-17-0 |
| Catalog Number | AG01A1SN(AGN-PC-03GJUD) |
| Chemical Name | 5-(tert-Butyl)thiophene-2-sulfonyl Chloride |
| IUPAC Name | 5-tert-butylthiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C8H11ClO2S2/c1-8(2,3)6-4-5-7(12-6)13(9,10)11/h4-5H,1-3H3 |
| InChI Key | JWHLHIKHBZVZNS-UHFFFAOYSA-N |
| MDL Number | MFCD19200289 |
| Molecular Formula | C8H11ClO2S2 |
| Molecular Weight | 238.7547 |
| SMILES | CC(C1SC(S(Cl)(=O)=O)=CC=1)(C)C |
| Synonyms | 179400-17-0,
5-tert-butylthiophene-2-sulfonyl chloride,
5-(tert-Butyl)thiophene-2-sulfonyl chloride,
5-tert-butyl-thiophene-2-sulfonyl chloride,
5-tert-butyl-thiophene-2-sulphonyl chloride,
SCHEMBL7850752,
JWHLHIKHBZVZNS-UHFFFAOYSA-N,
MFCD19200289,
AKOS006335978,
ZINC100458255,
NE21515,
5-tert-Butyl-2-thiophenesulfonyl chloride,
SY146538,
MFCD19200289 (95%),
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.744g/mol |
| Monoisotopic Mass | 237.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number