2-propylthiolane

C7H14S — CID 519126

IUPAC2-propylthiolane
SMILESCCCC1CCCS1
InChIInChI=1S/C7H14S/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3
InChIKeyRKTPCTKFTDSWND-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds2

About 2-propylthiolane

2-propylthiolane (PubChem CID 519126) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-propylthiolane.

Molecular Properties

Compound Name2-propylthiolane
PubChem CID519126
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-propylthiolane
SMILESCCCC1CCCS1
InChIInChI=1S/C7H14S/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3
InChIKeyRKTPCTKFTDSWND-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propylthiolane 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-propylthiolane?
The IUPAC name of 2-propylthiolane (CID 519126) is 2-propylthiolane.
What is the SMILES notation for 2-propylthiolane?
The canonical SMILES for 2-propylthiolane is CCCC1CCCS1.
What is the InChIKey of 2-propylthiolane?
The InChIKey is RKTPCTKFTDSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3.
What are the key properties of 2-propylthiolane?
2-propylthiolane has a molecular weight of 130.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylthiolane is sourced from PubChem (CID 519126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).