2-ethyl-4-methyl-1,3-dithiolane

C6H12S2 — CID 529629

IUPAC2-ethyl-4-methyl-1,3-dithiolane
SMILESCCC1SCC(C)S1
InChIInChI=1S/C6H12S2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3
InChIKeyPYBVIKJOGRMFFA-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.59
Rot. Bonds1

About 2-ethyl-4-methyl-1,3-dithiolane

2-ethyl-4-methyl-1,3-dithiolane (PubChem CID 529629) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1,3-dithiolane.

Molecular Properties

Compound Name2-ethyl-4-methyl-1,3-dithiolane
PubChem CID529629
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name2-ethyl-4-methyl-1,3-dithiolane
SMILESCCC1SCC(C)S1
InChIInChI=1S/C6H12S2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3
InChIKeyPYBVIKJOGRMFFA-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4-methyl-1,3-dithiolane 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-ethyl-4-methyl-1,3-dithiolane?
The IUPAC name of 2-ethyl-4-methyl-1,3-dithiolane (CID 529629) is 2-ethyl-4-methyl-1,3-dithiolane.
What is the SMILES notation for 2-ethyl-4-methyl-1,3-dithiolane?
The canonical SMILES for 2-ethyl-4-methyl-1,3-dithiolane is CCC1SCC(C)S1.
What is the InChIKey of 2-ethyl-4-methyl-1,3-dithiolane?
The InChIKey is PYBVIKJOGRMFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1,3-dithiolane?
2-ethyl-4-methyl-1,3-dithiolane has a molecular weight of 148.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1,3-dithiolane is sourced from PubChem (CID 529629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).