1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol

C7H8O3S2 — CID 20850927

IUPAC1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol
SMILESO=S1(=O)CCC2=C1SC=CC2O
InChIInChI=1S/C7H8O3S2/c8-6-1-3-11-7-5(6)2-4-12(7,9)10/h1,3,6,8H,2,4H2
InChIKeyINPCWKSUWRZDMQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.64
Rot. Bonds

About 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol

1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol (PubChem CID 20850927) has the molecular formula C7H8O3S2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol.

Molecular Properties

Compound Name1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol
PubChem CID20850927
Molecular FormulaC7H8O3S2
Molecular Weight204.27 g/mol
Exact Mass203.99
IUPAC Name1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol
SMILESO=S1(=O)CCC2=C1SC=CC2O
InChIInChI=1S/C7H8O3S2/c8-6-1-3-11-7-5(6)2-4-12(7,9)10/h1,3,6,8H,2,4H2
InChIKeyINPCWKSUWRZDMQ-UHFFFAOYSA-N
XLogP0.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol
CID 91980163

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
The IUPAC name of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol (CID 20850927) is 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol.
What is the SMILES notation for 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
The canonical SMILES for 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol is O=S1(=O)CCC2=C1SC=CC2O.
What is the InChIKey of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
The InChIKey is INPCWKSUWRZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S2/c8-6-1-3-11-7-5(6)2-4-12(7,9)10/h1,3,6,8H,2,4H2.
What are the key properties of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol?
1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol has a molecular weight of 204.27 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-4-ol is sourced from PubChem (CID 20850927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).