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

C5H8OS — CID 175748087

IUPAC3,6-dihydro-2H-thiopyran-2-ol
SMILESOC1CC=CCS1
InChIInChI=1S/C5H8OS/c6-5-3-1-2-4-7-5/h1-2,5-6H,3-4H2
InChIKeyHEIIEGAEGIQMIA-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.00
Rot. Bonds

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

3,6-dihydro-2H-thiopyran-2-ol (PubChem CID 175748087) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-2-ol.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-2-ol
PubChem CID175748087
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name3,6-dihydro-2H-thiopyran-2-ol
SMILESOC1CC=CCS1
InChIInChI=1S/C5H8OS/c6-5-3-1-2-4-7-5/h1-2,5-6H,3-4H2
InChIKeyHEIIEGAEGIQMIA-UHFFFAOYSA-N
XLogP1.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.00
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 3,6-dihydro-2H-thiopyran-2-ol?
The IUPAC name of 3,6-dihydro-2H-thiopyran-2-ol (CID 175748087) is 3,6-dihydro-2H-thiopyran-2-ol.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-2-ol?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-2-ol is OC1CC=CCS1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-2-ol?
The InChIKey is HEIIEGAEGIQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c6-5-3-1-2-4-7-5/h1-2,5-6H,3-4H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-2-ol?
3,6-dihydro-2H-thiopyran-2-ol has a molecular weight of 116.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran-2-ol is sourced from PubChem (CID 175748087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).