1-oxo-2H-thiopyran-2-ol

C5H6O2S — CID 67517142

IUPAC1-oxo-2H-thiopyran-2-ol
SMILESO=S1C=CC=CC1O
InChIInChI=1S/C5H6O2S/c6-5-3-1-2-4-8(5)7/h1-6H
InChIKeyCLCDXJPGDBNBMT-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.14
Rot. Bonds

About 1-oxo-2H-thiopyran-2-ol

1-oxo-2H-thiopyran-2-ol (PubChem CID 67517142) has the molecular formula C5H6O2S and a molecular weight of 130.17 g/mol. Its IUPAC name is 1-oxo-2H-thiopyran-2-ol.

Molecular Properties

Compound Name1-oxo-2H-thiopyran-2-ol
PubChem CID67517142
Molecular FormulaC5H6O2S
Molecular Weight130.17 g/mol
Exact Mass130.01
IUPAC Name1-oxo-2H-thiopyran-2-ol
SMILESO=S1C=CC=CC1O
InChIInChI=1S/C5H6O2S/c6-5-3-1-2-4-8(5)7/h1-6H
InChIKeyCLCDXJPGDBNBMT-UHFFFAOYSA-N
XLogP0.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2H-thiopyran-2-ol?
The IUPAC name of 1-oxo-2H-thiopyran-2-ol (CID 67517142) is 1-oxo-2H-thiopyran-2-ol.
What is the SMILES notation for 1-oxo-2H-thiopyran-2-ol?
The canonical SMILES for 1-oxo-2H-thiopyran-2-ol is O=S1C=CC=CC1O.
What is the InChIKey of 1-oxo-2H-thiopyran-2-ol?
The InChIKey is CLCDXJPGDBNBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S/c6-5-3-1-2-4-8(5)7/h1-6H.
What are the key properties of 1-oxo-2H-thiopyran-2-ol?
1-oxo-2H-thiopyran-2-ol has a molecular weight of 130.17 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2H-thiopyran-2-ol is sourced from PubChem (CID 67517142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).