2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane

C13H24S — CID 135209846

IUPAC2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane
SMILESCCS(CC)(CC)C1CC2C=CC1C2
InChIInChI=1S/C13H24S/c1-4-14(5-2,6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyCNYISTHGJOGJNV-UHFFFAOYSA-N
MW212.40 g/mol
LogP3.82
Rot. Bonds4

About 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane

2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane (PubChem CID 135209846) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane
PubChem CID135209846
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane
SMILESCCS(CC)(CC)C1CC2C=CC1C2
InChIInChI=1S/C13H24S/c1-4-14(5-2,6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyCNYISTHGJOGJNV-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane 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 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane (CID 135209846) is 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane is CCS(CC)(CC)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane?
The InChIKey is CNYISTHGJOGJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-4-14(5-2,6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane?
2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane has a molecular weight of 212.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl(triethyl)-λ4-sulfane is sourced from PubChem (CID 135209846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).