2-methyl-1,3-dithiolane

C4H8S2 — CID 21828

IUPAC2-methyl-1,3-dithiolane
SMILESCC1SCCS1
InChIInChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKeyCARJCVDELAMAEJ-UHFFFAOYSA-N
MW120.24 g/mol
LogP1.81
Rot. Bonds

About 2-methyl-1,3-dithiolane

2-methyl-1,3-dithiolane (PubChem CID 21828) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is 2-methyl-1,3-dithiolane.

Molecular Properties

Compound Name2-methyl-1,3-dithiolane
PubChem CID21828
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Name2-methyl-1,3-dithiolane
SMILESCC1SCCS1
InChIInChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKeyCARJCVDELAMAEJ-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-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-methyl-1,3-dithiolane?
The IUPAC name of 2-methyl-1,3-dithiolane (CID 21828) is 2-methyl-1,3-dithiolane.
What is the SMILES notation for 2-methyl-1,3-dithiolane?
The canonical SMILES for 2-methyl-1,3-dithiolane is CC1SCCS1.
What is the InChIKey of 2-methyl-1,3-dithiolane?
The InChIKey is CARJCVDELAMAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-1,3-dithiolane?
2-methyl-1,3-dithiolane has a molecular weight of 120.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dithiolane is sourced from PubChem (CID 21828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).