2,3-dimethylthiolane

C6H12S — CID 568054

IUPAC2,3-dimethylthiolane
SMILESCC1CCSC1C
InChIInChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyPQAQKWCWCGKBDS-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.15
Rot. Bonds

About 2,3-dimethylthiolane

2,3-dimethylthiolane (PubChem CID 568054) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 2,3-dimethylthiolane.

Molecular Properties

Compound Name2,3-dimethylthiolane
PubChem CID568054
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name2,3-dimethylthiolane
SMILESCC1CCSC1C
InChIInChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyPQAQKWCWCGKBDS-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-dimethylthiolane 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 2,3-dimethylthiolane?
The IUPAC name of 2,3-dimethylthiolane (CID 568054) is 2,3-dimethylthiolane.
What is the SMILES notation for 2,3-dimethylthiolane?
The canonical SMILES for 2,3-dimethylthiolane is CC1CCSC1C.
What is the InChIKey of 2,3-dimethylthiolane?
The InChIKey is PQAQKWCWCGKBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethylthiolane?
2,3-dimethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylthiolane is sourced from PubChem (CID 568054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).