3-ethenylpentane-1,5-dithiol

C7H14S2 — CID 87461359

IUPAC3-ethenylpentane-1,5-dithiol
SMILESC=CC(CCS)CCS
InChIInChI=1S/C7H14S2/c1-2-7(3-5-8)4-6-9/h2,7-9H,1,3-6H2
InChIKeyFUHWYWOPYCUVIF-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.43
Rot. Bonds5

About 3-ethenylpentane-1,5-dithiol

3-ethenylpentane-1,5-dithiol (PubChem CID 87461359) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 3-ethenylpentane-1,5-dithiol.

Molecular Properties

Compound Name3-ethenylpentane-1,5-dithiol
PubChem CID87461359
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name3-ethenylpentane-1,5-dithiol
SMILESC=CC(CCS)CCS
InChIInChI=1S/C7H14S2/c1-2-7(3-5-8)4-6-9/h2,7-9H,1,3-6H2
InChIKeyFUHWYWOPYCUVIF-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenylpentane-1,5-dithiol 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-ethenylpentane-1,5-dithiol?
The IUPAC name of 3-ethenylpentane-1,5-dithiol (CID 87461359) is 3-ethenylpentane-1,5-dithiol.
What is the SMILES notation for 3-ethenylpentane-1,5-dithiol?
The canonical SMILES for 3-ethenylpentane-1,5-dithiol is C=CC(CCS)CCS.
What is the InChIKey of 3-ethenylpentane-1,5-dithiol?
The InChIKey is FUHWYWOPYCUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-2-7(3-5-8)4-6-9/h2,7-9H,1,3-6H2.
What are the key properties of 3-ethenylpentane-1,5-dithiol?
3-ethenylpentane-1,5-dithiol has a molecular weight of 162.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpentane-1,5-dithiol is sourced from PubChem (CID 87461359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).