| CAS Number | 1520470-73-8 |
| Catalog Number | AG01B3BH |
| Chemical Name | 4-bromo-2,5-dimethylthiophene-3-sulfonyl chloride |
| IUPAC Name | 4-bromo-2,5-dimethylthiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C6H6BrClO2S2/c1-3-5(7)6(4(2)11-3)12(8,9)10/h1-2H3 |
| InChI Key | LUNIRDJAHKLVGG-UHFFFAOYSA-N |
| MDL Number | MFCD23777345 |
| Molecular Formula | C6H6BrClO2S2 |
| Molecular Weight | 289.5976 |
| SMILES | CC1=C(Br)C(S(Cl)(=O)=O)=C(C)S1 |
| Synonyms | 4-bromo-2,5-dimethylthiophene-3-sulfonyl chloride,
1520470-73-8,
ZINC118865437,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.868g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.586g/mol |
| Monoisotopic Mass | 287.868g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number