| CAS Number | 128852-06-2 |
| Catalog Number | AG01B33R(AGN-PC-0WCM9O) |
| Chemical Name | 1-Benzothiophene-7-sulfonyl chloride |
| IUPAC Name | 1-benzothiophene-7-sulfonyl chloride |
| InChI | InChI=1S/C8H5ClO2S2/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H |
| InChI Key | JOJNZADZIIGUJY-UHFFFAOYSA-N |
| MDL Number | MFCD19201021 |
| Molecular Formula | C8H5ClO2S2 |
| Molecular Weight | 232.7071 |
| SMILES | ClS(C1=C2C(C=CS2)=CC=C1)(=O)=O |
| Synonyms | Benzo[b]thiophene-7-sulfonyl chloride,
128852-06-2,
1-benzothiophene-7-sulfonyl chloride,
MFCD19201021,
ZINC97972519,
AKOS006336313,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.696g/mol |
| Monoisotopic Mass | 231.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number