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6H-Thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide

HCID 13763151
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CC=C2
InChIKey
WKPVTORGPKMWMZ-UHFFFAOYSA-N
Molecular formula
C7H7NO4S3
Average molar mass
265.3 g/mol

Names & identifiers

Preferred name
6H-Thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
IUPAC
7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide

Names & synonyms

SCHEMBL10513850WKPVTORGPKMWMZ-UHFFFAOYSA-N6H-Thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide

Database identifiers

PubChem CID
13763151

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
139 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
481

Related reactions

6 records
New reaction record
HRID 194621 reaction equation
HRID 194621As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 653455 reaction equation
HRID 653455As productuspto-grants-1987_06
HRID 653456 reaction equation
HRID 653456As reactantuspto-grants-1987_06
HRID 653464 reaction equation
HRID 653464As reactantuspto-grants-1987_06
HRID 688887 reaction equation
HRID 688887As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 935745 reaction equation
HRID 935745As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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