1,1-dihydroxy-4H-thiopyran

C5H8O2S — CID 54547183

IUPAC1,1-dihydroxy-4H-thiopyran
SMILESOS1(O)C=CCC=C1
InChIInChI=1S/C5H8O2S/c6-8(7)4-2-1-3-5-8/h2-7H,1H2
InChIKeyGFUQKRGWLJDAMH-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.17
Rot. Bonds

About 1,1-dihydroxy-4H-thiopyran

1,1-dihydroxy-4H-thiopyran (PubChem CID 54547183) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 1,1-dihydroxy-4H-thiopyran.

Molecular Properties

Compound Name1,1-dihydroxy-4H-thiopyran
PubChem CID54547183
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name1,1-dihydroxy-4H-thiopyran
SMILESOS1(O)C=CCC=C1
InChIInChI=1S/C5H8O2S/c6-8(7)4-2-1-3-5-8/h2-7H,1H2
InChIKeyGFUQKRGWLJDAMH-UHFFFAOYSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxy-4H-thiopyran?
The IUPAC name of 1,1-dihydroxy-4H-thiopyran (CID 54547183) is 1,1-dihydroxy-4H-thiopyran.
What is the SMILES notation for 1,1-dihydroxy-4H-thiopyran?
The canonical SMILES for 1,1-dihydroxy-4H-thiopyran is OS1(O)C=CCC=C1.
What is the InChIKey of 1,1-dihydroxy-4H-thiopyran?
The InChIKey is GFUQKRGWLJDAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c6-8(7)4-2-1-3-5-8/h2-7H,1H2.
What are the key properties of 1,1-dihydroxy-4H-thiopyran?
1,1-dihydroxy-4H-thiopyran has a molecular weight of 132.18 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxy-4H-thiopyran is sourced from PubChem (CID 54547183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).