(2R,5S)-2,5-dimethylthiolane

C6H12S — CID 6432504

IUPAC(2R,5S)-2,5-dimethylthiolane
SMILESC[C@@H]1CC[C@H](C)S1
InChIInChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyIBKCTZVPGMUZGZ-OLQVQODUSA-N
MW116.23 g/mol
LogP2.29
Rot. Bonds

About (2R,5S)-2,5-dimethylthiolane

(2R,5S)-2,5-dimethylthiolane (PubChem CID 6432504) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethylthiolane.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethylthiolane
PubChem CID6432504
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(2R,5S)-2,5-dimethylthiolane
SMILESC[C@@H]1CC[C@H](C)S1
InChIInChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyIBKCTZVPGMUZGZ-OLQVQODUSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,5S)-2,5-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 (2R,5S)-2,5-dimethylthiolane?
The IUPAC name of (2R,5S)-2,5-dimethylthiolane (CID 6432504) is (2R,5S)-2,5-dimethylthiolane.
What is the SMILES notation for (2R,5S)-2,5-dimethylthiolane?
The canonical SMILES for (2R,5S)-2,5-dimethylthiolane is C[C@@H]1CC[C@H](C)S1.
What is the InChIKey of (2R,5S)-2,5-dimethylthiolane?
The InChIKey is IBKCTZVPGMUZGZ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2R,5S)-2,5-dimethylthiolane?
(2R,5S)-2,5-dimethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethylthiolane is sourced from PubChem (CID 6432504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).