4-ethenylthiane 1,1-dioxide

C7H12O2S — CID 89424204

IUPAC4-ethenylthiane 1,1-dioxide
SMILESC=CC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12O2S/c1-2-7-3-5-10(8,9)6-4-7/h2,7H,1,3-6H2
InChIKeyVHBREPLGJATVFS-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.00
Rot. Bonds1

About 4-ethenylthiane 1,1-dioxide

4-ethenylthiane 1,1-dioxide (PubChem CID 89424204) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 4-ethenylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-ethenylthiane 1,1-dioxide
PubChem CID89424204
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name4-ethenylthiane 1,1-dioxide
SMILESC=CC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H12O2S/c1-2-7-3-5-10(8,9)6-4-7/h2,7H,1,3-6H2
InChIKeyVHBREPLGJATVFS-UHFFFAOYSA-N
XLogP1.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenylthiane 1,1-dioxide 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 4-ethenylthiane 1,1-dioxide?
The IUPAC name of 4-ethenylthiane 1,1-dioxide (CID 89424204) is 4-ethenylthiane 1,1-dioxide.
What is the SMILES notation for 4-ethenylthiane 1,1-dioxide?
The canonical SMILES for 4-ethenylthiane 1,1-dioxide is C=CC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-ethenylthiane 1,1-dioxide?
The InChIKey is VHBREPLGJATVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-7-3-5-10(8,9)6-4-7/h2,7H,1,3-6H2.
What are the key properties of 4-ethenylthiane 1,1-dioxide?
4-ethenylthiane 1,1-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylthiane 1,1-dioxide is sourced from PubChem (CID 89424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).