7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol

HCID 3623027

Notes Reactions

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Basic information

Standard SMILES: O=S1(=O)CCC(O)c2ccsc21
InChIKey: MFTKAMUOHUPBRG-UHFFFAOYSA-N
Molecular formula: C7H8O3S2
Average molar mass: 204.3 g/mol
Monoisotopic mass: 203.99148646

Names & identifiers

Preferred name: 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
IUPAC: 7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol

Names & synonyms

137004-58-17,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol4-Hydroxy-3,4-dihydro-1Lambda6-thieno[2,3-B]thiopyran-1,1(2H)-dioneMFCD015683604-Hydroxy-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxideOprea1_324001GNF-Pf-751CHEMBL527732SCHEMBL16385769AKOS0159929755N-343S4-Hydroxy-3,4-dihydrothieno[2,3-b]thiopyran-1,1(2H)-dione

Database identifiers

PubChem CID: 3623027
ChEMBL: CHEMBL527732

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 91 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 267

Related reactions

5 records

New reaction record

HRID 155361As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 676729As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1124186As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1151136As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2142115As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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