(E)-3-(thiolan-3-yl)prop-2-en-1-ol

C7H12OS — CID 107133831

IUPAC(E)-3-(thiolan-3-yl)prop-2-en-1-ol
SMILESOC/C=C/C1CCSC1
InChIInChI=1S/C7H12OS/c8-4-1-2-7-3-5-9-6-7/h1-2,7-8H,3-6H2/b2-1+
InChIKeyQUWVMCVCZUMNSX-OWOJBTEDSA-N
MW144.24 g/mol
LogP1.29
Rot. Bonds2

About (E)-3-(thiolan-3-yl)prop-2-en-1-ol

(E)-3-(thiolan-3-yl)prop-2-en-1-ol (PubChem CID 107133831) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (E)-3-(thiolan-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(thiolan-3-yl)prop-2-en-1-ol
PubChem CID107133831
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(E)-3-(thiolan-3-yl)prop-2-en-1-ol
SMILESOC/C=C/C1CCSC1
InChIInChI=1S/C7H12OS/c8-4-1-2-7-3-5-9-6-7/h1-2,7-8H,3-6H2/b2-1+
InChIKeyQUWVMCVCZUMNSX-OWOJBTEDSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(thiolan-3-yl)prop-2-en-1-ol 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 (E)-3-(thiolan-3-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(thiolan-3-yl)prop-2-en-1-ol (CID 107133831) is (E)-3-(thiolan-3-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(thiolan-3-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(thiolan-3-yl)prop-2-en-1-ol is OC/C=C/C1CCSC1.
What is the InChIKey of (E)-3-(thiolan-3-yl)prop-2-en-1-ol?
The InChIKey is QUWVMCVCZUMNSX-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H12OS/c8-4-1-2-7-3-5-9-6-7/h1-2,7-8H,3-6H2/b2-1+.
What are the key properties of (E)-3-(thiolan-3-yl)prop-2-en-1-ol?
(E)-3-(thiolan-3-yl)prop-2-en-1-ol has a molecular weight of 144.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(thiolan-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 107133831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).