2,5-dithiabicyclo[2.2.2]octane

C6H10S2 — CID 175742422

IUPAC2,5-dithiabicyclo[2.2.2]octane
SMILESC1CC2CSC1CS2
InChIInChI=1S/C6H10S2/c1-2-6-4-7-5(1)3-8-6/h5-6H,1-4H2
InChIKeyPVSZGADQWKAUOG-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.00
Rot. Bonds

About 2,5-dithiabicyclo[2.2.2]octane

2,5-dithiabicyclo[2.2.2]octane (PubChem CID 175742422) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 2,5-dithiabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,5-dithiabicyclo[2.2.2]octane
PubChem CID175742422
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name2,5-dithiabicyclo[2.2.2]octane
SMILESC1CC2CSC1CS2
InChIInChI=1S/C6H10S2/c1-2-6-4-7-5(1)3-8-6/h5-6H,1-4H2
InChIKeyPVSZGADQWKAUOG-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dithiabicyclo[2.2.2]octane 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 2,5-dithiabicyclo[2.2.2]octane?
The IUPAC name of 2,5-dithiabicyclo[2.2.2]octane (CID 175742422) is 2,5-dithiabicyclo[2.2.2]octane.
What is the SMILES notation for 2,5-dithiabicyclo[2.2.2]octane?
The canonical SMILES for 2,5-dithiabicyclo[2.2.2]octane is C1CC2CSC1CS2.
What is the InChIKey of 2,5-dithiabicyclo[2.2.2]octane?
The InChIKey is PVSZGADQWKAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-2-6-4-7-5(1)3-8-6/h5-6H,1-4H2.
What are the key properties of 2,5-dithiabicyclo[2.2.2]octane?
2,5-dithiabicyclo[2.2.2]octane has a molecular weight of 146.28 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiabicyclo[2.2.2]octane is sourced from PubChem (CID 175742422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).