| CAS Number | 98546-91-9 |
| Catalog Number | AG01BJB2 |
| Chemical Name | trimethylthiophene-3-sulfonyl chloride |
| IUPAC Name | 2,4,5-trimethylthiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C7H9ClO2S2/c1-4-5(2)11-6(3)7(4)12(8,9)10/h1-3H3 |
| InChI Key | BTUIDLJGXGIFEX-UHFFFAOYSA-N |
| MDL Number | MFCD19200542 |
| Molecular Formula | C7H9ClO2S2 |
| Molecular Weight | 224.7282 |
| SMILES | CC1=C(C)C(S(Cl)(=O)=O)=C(C)S1 |
| Synonyms | trimethylthiophene-3-sulfonyl chloride,
98546-91-9,
AKOS006334273,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.717g/mol |
| Monoisotopic Mass | 223.973g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number