1,1-dioxo-2,3-dihydrothiopyran-4-one

C5H6O3S — CID 10374577

IUPAC1,1-dioxo-2,3-dihydrothiopyran-4-one
SMILESO=C1C=CS(=O)(=O)CC1
InChIInChI=1S/C5H6O3S/c6-5-1-3-9(7,8)4-2-5/h1,3H,2,4H2
InChIKeyHLFDOFKECCWFOF-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.11
Rot. Bonds

About 1,1-dioxo-2,3-dihydrothiopyran-4-one

1,1-dioxo-2,3-dihydrothiopyran-4-one (PubChem CID 10374577) has the molecular formula C5H6O3S and a molecular weight of 146.17 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydrothiopyran-4-one.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydrothiopyran-4-one
PubChem CID10374577
Molecular FormulaC5H6O3S
Molecular Weight146.17 g/mol
Exact Mass146.00
IUPAC Name1,1-dioxo-2,3-dihydrothiopyran-4-one
SMILESO=C1C=CS(=O)(=O)CC1
InChIInChI=1S/C5H6O3S/c6-5-1-3-9(7,8)4-2-5/h1,3H,2,4H2
InChIKeyHLFDOFKECCWFOF-UHFFFAOYSA-N
XLogP-0.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-2,3-dihydrothiopyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydrothiopyran-4-one?
The IUPAC name of 1,1-dioxo-2,3-dihydrothiopyran-4-one (CID 10374577) is 1,1-dioxo-2,3-dihydrothiopyran-4-one.
What is the SMILES notation for 1,1-dioxo-2,3-dihydrothiopyran-4-one?
The canonical SMILES for 1,1-dioxo-2,3-dihydrothiopyran-4-one is O=C1C=CS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-2,3-dihydrothiopyran-4-one?
The InChIKey is HLFDOFKECCWFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3S/c6-5-1-3-9(7,8)4-2-5/h1,3H,2,4H2.
What are the key properties of 1,1-dioxo-2,3-dihydrothiopyran-4-one?
1,1-dioxo-2,3-dihydrothiopyran-4-one has a molecular weight of 146.17 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydrothiopyran-4-one is sourced from PubChem (CID 10374577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).