(3S)-3-(2-methylpropyl)thiolane

C8H16S — CID 89392788

IUPAC(3S)-3-(2-methylpropyl)thiolane
SMILESCC(C)C[C@H]1CCSC1
InChIInChI=1S/C8H16S/c1-7(2)5-8-3-4-9-6-8/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyFEOAYQHFJMOCTF-MRVPVSSYSA-N
MW144.28 g/mol
LogP2.79
Rot. Bonds2

About (3S)-3-(2-methylpropyl)thiolane

(3S)-3-(2-methylpropyl)thiolane (PubChem CID 89392788) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (3S)-3-(2-methylpropyl)thiolane.

Molecular Properties

Compound Name(3S)-3-(2-methylpropyl)thiolane
PubChem CID89392788
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(3S)-3-(2-methylpropyl)thiolane
SMILESCC(C)C[C@H]1CCSC1
InChIInChI=1S/C8H16S/c1-7(2)5-8-3-4-9-6-8/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyFEOAYQHFJMOCTF-MRVPVSSYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(2-methylpropyl)thiolane 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 (3S)-3-(2-methylpropyl)thiolane?
The IUPAC name of (3S)-3-(2-methylpropyl)thiolane (CID 89392788) is (3S)-3-(2-methylpropyl)thiolane.
What is the SMILES notation for (3S)-3-(2-methylpropyl)thiolane?
The canonical SMILES for (3S)-3-(2-methylpropyl)thiolane is CC(C)C[C@H]1CCSC1.
What is the InChIKey of (3S)-3-(2-methylpropyl)thiolane?
The InChIKey is FEOAYQHFJMOCTF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16S/c1-7(2)5-8-3-4-9-6-8/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3S)-3-(2-methylpropyl)thiolane?
(3S)-3-(2-methylpropyl)thiolane has a molecular weight of 144.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpropyl)thiolane is sourced from PubChem (CID 89392788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).