(2R)-2-[(E)-prop-1-enyl]thiolane

C7H12S — CID 129387762

IUPAC(2R)-2-[(E)-prop-1-enyl]thiolane
SMILESC/C=C/[C@H]1CCCS1
InChIInChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h2,4,7H,3,5-6H2,1H3/b4-2+/t7-/m0/s1
InChIKeyWWPFJERTOAFQFO-XBBYQOBLSA-N
MW128.24 g/mol
LogP2.46
Rot. Bonds1

About (2R)-2-[(E)-prop-1-enyl]thiolane

(2R)-2-[(E)-prop-1-enyl]thiolane (PubChem CID 129387762) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (2R)-2-[(E)-prop-1-enyl]thiolane.

Molecular Properties

Compound Name(2R)-2-[(E)-prop-1-enyl]thiolane
PubChem CID129387762
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(2R)-2-[(E)-prop-1-enyl]thiolane
SMILESC/C=C/[C@H]1CCCS1
InChIInChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h2,4,7H,3,5-6H2,1H3/b4-2+/t7-/m0/s1
InChIKeyWWPFJERTOAFQFO-XBBYQOBLSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[(E)-prop-1-enyl]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 (2R)-2-[(E)-prop-1-enyl]thiolane?
The IUPAC name of (2R)-2-[(E)-prop-1-enyl]thiolane (CID 129387762) is (2R)-2-[(E)-prop-1-enyl]thiolane.
What is the SMILES notation for (2R)-2-[(E)-prop-1-enyl]thiolane?
The canonical SMILES for (2R)-2-[(E)-prop-1-enyl]thiolane is C/C=C/[C@H]1CCCS1.
What is the InChIKey of (2R)-2-[(E)-prop-1-enyl]thiolane?
The InChIKey is WWPFJERTOAFQFO-XBBYQOBLSA-N. The full InChI is InChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h2,4,7H,3,5-6H2,1H3/b4-2+/t7-/m0/s1.
What are the key properties of (2R)-2-[(E)-prop-1-enyl]thiolane?
(2R)-2-[(E)-prop-1-enyl]thiolane has a molecular weight of 128.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-prop-1-enyl]thiolane is sourced from PubChem (CID 129387762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).