1-oxo-3,6-dihydro-2H-thiopyran-3-ol

C5H8O2S — CID 135053277

IUPAC1-oxo-3,6-dihydro-2H-thiopyran-3-ol
SMILESO=S1CC=CC(O)C1
InChIInChI=1S/C5H8O2S/c6-5-2-1-3-8(7)4-5/h1-2,5-6H,3-4H2
InChIKeyBLOGWVMUXMNKDU-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.33
Rot. Bonds

About 1-oxo-3,6-dihydro-2H-thiopyran-3-ol

1-oxo-3,6-dihydro-2H-thiopyran-3-ol (PubChem CID 135053277) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-oxo-3,6-dihydro-2H-thiopyran-3-ol.

Molecular Properties

Compound Name1-oxo-3,6-dihydro-2H-thiopyran-3-ol
PubChem CID135053277
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name1-oxo-3,6-dihydro-2H-thiopyran-3-ol
SMILESO=S1CC=CC(O)C1
InChIInChI=1S/C5H8O2S/c6-5-2-1-3-8(7)4-5/h1-2,5-6H,3-4H2
InChIKeyBLOGWVMUXMNKDU-UHFFFAOYSA-N
XLogP-0.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3,6-dihydro-2H-thiopyran-3-ol?
The IUPAC name of 1-oxo-3,6-dihydro-2H-thiopyran-3-ol (CID 135053277) is 1-oxo-3,6-dihydro-2H-thiopyran-3-ol.
What is the SMILES notation for 1-oxo-3,6-dihydro-2H-thiopyran-3-ol?
The canonical SMILES for 1-oxo-3,6-dihydro-2H-thiopyran-3-ol is O=S1CC=CC(O)C1.
What is the InChIKey of 1-oxo-3,6-dihydro-2H-thiopyran-3-ol?
The InChIKey is BLOGWVMUXMNKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c6-5-2-1-3-8(7)4-5/h1-2,5-6H,3-4H2.
What are the key properties of 1-oxo-3,6-dihydro-2H-thiopyran-3-ol?
1-oxo-3,6-dihydro-2H-thiopyran-3-ol has a molecular weight of 132.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,6-dihydro-2H-thiopyran-3-ol is sourced from PubChem (CID 135053277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).