3,4-dihydropyran-2,2-dithiol

C5H8OS2 — CID 141076800

IUPAC3,4-dihydropyran-2,2-dithiol
SMILESSC1(S)CCC=CO1
InChIInChI=1S/C5H8OS2/c7-5(8)3-1-2-4-6-5/h2,4,7-8H,1,3H2
InChIKeyRPTHQZSNYQGNGS-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.82
Rot. Bonds

About 3,4-dihydropyran-2,2-dithiol

3,4-dihydropyran-2,2-dithiol (PubChem CID 141076800) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3,4-dihydropyran-2,2-dithiol.

Molecular Properties

Compound Name3,4-dihydropyran-2,2-dithiol
PubChem CID141076800
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name3,4-dihydropyran-2,2-dithiol
SMILESSC1(S)CCC=CO1
InChIInChI=1S/C5H8OS2/c7-5(8)3-1-2-4-6-5/h2,4,7-8H,1,3H2
InChIKeyRPTHQZSNYQGNGS-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3,4-dihydropyran-2,2-dithiol 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
3,4-Dihydropyran-2-thione
CID 54165213
3,4-dihydro-2H-pyran-5-thiol
CID 87331003
3,4-dihydro-2H-pyran-3-thiol
CID 141161068
3,4-dihydro-2H-pyran-3,4-dithiol
CID 170360269
3,4-dihydro-2H-pyran;sulfane
CID 174519191

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyran-2,2-dithiol?
The IUPAC name of 3,4-dihydropyran-2,2-dithiol (CID 141076800) is 3,4-dihydropyran-2,2-dithiol.
What is the SMILES notation for 3,4-dihydropyran-2,2-dithiol?
The canonical SMILES for 3,4-dihydropyran-2,2-dithiol is SC1(S)CCC=CO1.
What is the InChIKey of 3,4-dihydropyran-2,2-dithiol?
The InChIKey is RPTHQZSNYQGNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c7-5(8)3-1-2-4-6-5/h2,4,7-8H,1,3H2.
What are the key properties of 3,4-dihydropyran-2,2-dithiol?
3,4-dihydropyran-2,2-dithiol has a molecular weight of 148.25 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyran-2,2-dithiol is sourced from PubChem (CID 141076800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).