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Basic information
- Standard SMILES
COC(=O)c1sc2cc(C)ccc2c1S(=O)(=O)Cl- InChIKey
WZTQTJUHNMBLDI-UHFFFAOYSA-N- Molecular formula
- C11H9ClO4S2
- Average molar mass
- 304.8 g/mol
Names & identifiers
- Preferred name
- 2-Methoxycarbonyl-6-methyl-benzo[b] thiophene-3-sulfonic acid chloride
- IUPAC
- methyl 3-chlorosulfonyl-6-methyl-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL11394150WZTQTJUHNMBLDI-UHFFFAOYSA-N2-Methoxycarbonyl-6-methyl-benzo[b] thiophene-3-sulfonic acid chloride
Database identifiers
- PubChem CID
- 54458302
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 431
Related reactions
1 records
Compound notes
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