3-(2-ethylsulfanylethylsulfanyl)prop-1-ene

C7H14S2 — CID 131107230

IUPAC3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
SMILESC=CCSCCSCC
InChIInChI=1S/C7H14S2/c1-3-5-9-7-6-8-4-2/h3H,1,4-7H2,2H3
InChIKeyXLJBVBFPLUGXLH-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.66
Rot. Bonds6

About 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene

3-(2-ethylsulfanylethylsulfanyl)prop-1-ene (PubChem CID 131107230) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
PubChem CID131107230
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
SMILESC=CCSCCSCC
InChIInChI=1S/C7H14S2/c1-3-5-9-7-6-8-4-2/h3H,1,4-7H2,2H3
InChIKeyXLJBVBFPLUGXLH-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene 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-(2-ethylsulfanylethylsulfanyl)prop-1-ene?
The IUPAC name of 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene (CID 131107230) is 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene.
What is the SMILES notation for 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene?
The canonical SMILES for 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene is C=CCSCCSCC.
What is the InChIKey of 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene?
The InChIKey is XLJBVBFPLUGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-3-5-9-7-6-8-4-2/h3H,1,4-7H2,2H3.
What are the key properties of 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene?
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene has a molecular weight of 162.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethylsulfanyl)prop-1-ene is sourced from PubChem (CID 131107230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).