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

C5H8OS — CID 117273071

IUPAC3,6-dihydro-2H-thiopyran-3-ol
SMILESOC1C=CCSC1
InChIInChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-2,5-6H,3-4H2
InChIKeyWCFJUCNOFLRBJV-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.65
Rot. Bonds

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

3,6-dihydro-2H-thiopyran-3-ol (PubChem CID 117273071) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-3-ol.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-3-ol
PubChem CID117273071
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name3,6-dihydro-2H-thiopyran-3-ol
SMILESOC1C=CCSC1
InChIInChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-2,5-6H,3-4H2
InChIKeyWCFJUCNOFLRBJV-UHFFFAOYSA-N
XLogP0.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-thiopyran-3-ol 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 3,6-dihydro-2H-thiopyran-3-ol?
The IUPAC name of 3,6-dihydro-2H-thiopyran-3-ol (CID 117273071) is 3,6-dihydro-2H-thiopyran-3-ol.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-3-ol?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-3-ol is OC1C=CCSC1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-3-ol?
The InChIKey is WCFJUCNOFLRBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-2,5-6H,3-4H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-3-ol?
3,6-dihydro-2H-thiopyran-3-ol has a molecular weight of 116.19 g/mol, XLogP of 0.65, 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-3-ol is sourced from PubChem (CID 117273071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).