7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-sulfonyl chloride

HCID 21098685

Notes Reactions

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Basic information

Standard SMILES: O=C1CCCc2c(S(=O)(=O)Cl)csc21
InChIKey: GENHOYJWCSRAGK-UHFFFAOYSA-N
Molecular formula: C8H7ClO3S2
Average molar mass: 250.7 g/mol

Names & identifiers

Preferred name: 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-sulfonyl chloride
IUPAC: 7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonyl chloride

Names & synonyms

SCHEMBL5356250GENHOYJWCSRAGK-UHFFFAOYSA-N7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-sulfonyl chloride7-oxo-4,5,6,7-tetrahydro-benzo-[b]thiophene-3-sulfonyl chloride7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonyl chloride

Database identifiers

PubChem CID: 21098685

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 346

Related reactions

21 records

New reaction record

HRID 89236As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119490As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 174450As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 196409As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 290075As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 673242As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 681004As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 934217As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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