4,4-dimethyldithiolane

C5H10S2 — CID 11105410

IUPAC4,4-dimethyldithiolane
SMILESCC1(C)CSSC1
InChIInChI=1S/C5H10S2/c1-5(2)3-6-7-4-5/h3-4H2,1-2H3
InChIKeyWUWLIHSSYRWCQE-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.41
Rot. Bonds

About 4,4-dimethyldithiolane

4,4-dimethyldithiolane (PubChem CID 11105410) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 4,4-dimethyldithiolane.

Molecular Properties

Compound Name4,4-dimethyldithiolane
PubChem CID11105410
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name4,4-dimethyldithiolane
SMILESCC1(C)CSSC1
InChIInChI=1S/C5H10S2/c1-5(2)3-6-7-4-5/h3-4H2,1-2H3
InChIKeyWUWLIHSSYRWCQE-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethyldithiolane 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 4,4-dimethyldithiolane?
The IUPAC name of 4,4-dimethyldithiolane (CID 11105410) is 4,4-dimethyldithiolane.
What is the SMILES notation for 4,4-dimethyldithiolane?
The canonical SMILES for 4,4-dimethyldithiolane is CC1(C)CSSC1.
What is the InChIKey of 4,4-dimethyldithiolane?
The InChIKey is WUWLIHSSYRWCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-5(2)3-6-7-4-5/h3-4H2,1-2H3.
What are the key properties of 4,4-dimethyldithiolane?
4,4-dimethyldithiolane has a molecular weight of 134.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyldithiolane is sourced from PubChem (CID 11105410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).