2-(2,2-dimethylpropyl)-1,3-dithiolane

C8H16S2 — CID 15629982

IUPAC2-(2,2-dimethylpropyl)-1,3-dithiolane
SMILESCC(C)(C)CC1SCCS1
InChIInChI=1S/C8H16S2/c1-8(2,3)6-7-9-4-5-10-7/h7H,4-6H2,1-3H3
InChIKeyUOHGILOMDKUYDV-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.23
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,3-dithiolane

2-(2,2-dimethylpropyl)-1,3-dithiolane (PubChem CID 15629982) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,3-dithiolane
PubChem CID15629982
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name2-(2,2-dimethylpropyl)-1,3-dithiolane
SMILESCC(C)(C)CC1SCCS1
InChIInChI=1S/C8H16S2/c1-8(2,3)6-7-9-4-5-10-7/h7H,4-6H2,1-3H3
InChIKeyUOHGILOMDKUYDV-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-1,3-dithiolane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,3-dithiolane (CID 15629982) is 2-(2,2-dimethylpropyl)-1,3-dithiolane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,3-dithiolane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,3-dithiolane is CC(C)(C)CC1SCCS1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,3-dithiolane?
The InChIKey is UOHGILOMDKUYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-8(2,3)6-7-9-4-5-10-7/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,3-dithiolane?
2-(2,2-dimethylpropyl)-1,3-dithiolane has a molecular weight of 176.35 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,3-dithiolane is sourced from PubChem (CID 15629982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).