| CAS Number | 338797-11-8 |
| Catalog Number | AG00C8VM(AGN-PC-0KK77H) |
| Chemical Name | 5-Bromo-3-methylbenzo[b]thiophene-2-sulphonyl chloride |
| IUPAC Name | 5-bromo-3-methyl-1-benzothiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C9H6BrClO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3 |
| InChI Key | YSXQHKIUGBLJKG-UHFFFAOYSA-N |
| MDL Number | MFCD03094671 |
| Molecular Formula | C9H6BrClO2S2 |
| Molecular Weight | 325.6297 |
| SMILES | CC1=C(SC2=CC=C(Br)C=C12)S(Cl)(=O)=O |
| Synonyms | 338797-11-8,
5-Bromo-3-methylbenzo[b]thiophene-2-sulphonyl chloride,
5-bromo-3-methyl-1-benzothiophene-2-sulfonyl chloride,
5-Bromo-3-methylbenzo[b]thiophene-2-sulfonyl chloride,
C9H6BrClO2S2,
AC1MC3NV,
SCHEMBL787935,
5-bromo-3-methyl-benzothiophene-2-sulfonyl Chloride,
CTK5I7989,
DTXSID00370816,
YSXQHKIUGBLJKG-UHFFFAOYSA-N,
MFCD03094671,
ZINC95708125,
PS-10849,
X3451,
5-Bromo-2-(chlorosulphonyl)-3-methylbenzo[b]thiophene,
5-Bromo-3-methyl-1-benzothiophene-2-sulphonyl chloride,
5-bromo-3-methyl-benzo[b]thiophene-2-sulfonyl chloride,
5-bromo-3-methylbenzo[b]thiophene-2-sulphonyl chloride, AldrichCPR,
CID2735591,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.868g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.619g/mol |
| Monoisotopic Mass | 323.868g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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