4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one

C11H14OS2 — CID 10922229

IUPAC4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one
SMILESCCc1sc(=O)sc1C1=CCCCC1
InChIInChI=1S/C11H14OS2/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyLNQCXYDCIOFKBD-UHFFFAOYSA-N
MW226.37 g/mol
LogP3.69
Rot. Bonds2

About 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one

4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one (PubChem CID 10922229) has the molecular formula C11H14OS2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one
PubChem CID10922229
Molecular FormulaC11H14OS2
Molecular Weight226.37 g/mol
Exact Mass226.05
IUPAC Name4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one
SMILESCCc1sc(=O)sc1C1=CCCCC1
InChIInChI=1S/C11H14OS2/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyLNQCXYDCIOFKBD-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one 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 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one?
The IUPAC name of 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one (CID 10922229) is 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one.
What is the SMILES notation for 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one?
The canonical SMILES for 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one is CCc1sc(=O)sc1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one?
The InChIKey is LNQCXYDCIOFKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS2/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one?
4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one has a molecular weight of 226.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-5-ethyl-1,3-dithiol-2-one is sourced from PubChem (CID 10922229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).