3,4-dihydro-2H-pyran-3-thiol

C5H8OS — CID 141161068

IUPAC3,4-dihydro-2H-pyran-3-thiol
SMILESSC1CC=COC1
InChIInChI=1S/C5H8OS/c7-5-2-1-3-6-4-5/h1,3,5,7H,2,4H2
InChIKeySBMLKOQISNNKKS-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.22
Rot. Bonds

About 3,4-dihydro-2H-pyran-3-thiol

3,4-dihydro-2H-pyran-3-thiol (PubChem CID 141161068) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-3-thiol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-3-thiol
PubChem CID141161068
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name3,4-dihydro-2H-pyran-3-thiol
SMILESSC1CC=COC1
InChIInChI=1S/C5H8OS/c7-5-2-1-3-6-4-5/h1,3,5,7H,2,4H2
InChIKeySBMLKOQISNNKKS-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3,4-dihydro-2H-pyran-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydrothio-pyran
CID 129785048
3,4-dihydro-2H-thiopyran-3-one
CID 6428937
2H-Pyran, 2-(ethenylthio)-3,4-dihydro-
CID 4454013
2,3-Dihydropyranyl methyl sulfide
CID 129671345
3,4-Dihydropyran-2-thione
CID 54165213
3-Penta-1,4-dienoxypropane-1-thiolate;rutherfordium
CID 59029816
2-Penta-1,4-dienoxyethanethiolate;rutherfordium
CID 59029818
3,4-dihydro-2H-pyran-5-thiol
CID 87331003
4-(4-Sulfanylbut-1-enoxy)but-3-ene-1-thiol
CID 91112274
3,4-Dihydropyran-2,2-dithiol
CID 141076800
3,4-dihydro-2H-pyran-3,4-dithiol
CID 170360269
5-Pent-1-enoxypent-1-ene-1-thiol
CID 175457367

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-3-thiol?
The IUPAC name of 3,4-dihydro-2H-pyran-3-thiol (CID 141161068) is 3,4-dihydro-2H-pyran-3-thiol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-3-thiol?
The canonical SMILES for 3,4-dihydro-2H-pyran-3-thiol is SC1CC=COC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-3-thiol?
The InChIKey is SBMLKOQISNNKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c7-5-2-1-3-6-4-5/h1,3,5,7H,2,4H2.
What are the key properties of 3,4-dihydro-2H-pyran-3-thiol?
3,4-dihydro-2H-pyran-3-thiol has a molecular weight of 116.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-3-thiol is sourced from PubChem (CID 141161068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).