4-prop-1-en-2-ylthiane 1,1-dioxide

C8H14O2S — CID 89476824

IUPAC4-prop-1-en-2-ylthiane 1,1-dioxide
SMILESC=C(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14O2S/c1-7(2)8-3-5-11(9,10)6-4-8/h8H,1,3-6H2,2H3
InChIKeyWXTNMTGFOFYEEA-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.39
Rot. Bonds1

About 4-prop-1-en-2-ylthiane 1,1-dioxide

4-prop-1-en-2-ylthiane 1,1-dioxide (PubChem CID 89476824) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-prop-1-en-2-ylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-prop-1-en-2-ylthiane 1,1-dioxide
PubChem CID89476824
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name4-prop-1-en-2-ylthiane 1,1-dioxide
SMILESC=C(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14O2S/c1-7(2)8-3-5-11(9,10)6-4-8/h8H,1,3-6H2,2H3
InChIKeyWXTNMTGFOFYEEA-UHFFFAOYSA-N
XLogP1.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylthiane 1,1-dioxide?
The IUPAC name of 4-prop-1-en-2-ylthiane 1,1-dioxide (CID 89476824) is 4-prop-1-en-2-ylthiane 1,1-dioxide.
What is the SMILES notation for 4-prop-1-en-2-ylthiane 1,1-dioxide?
The canonical SMILES for 4-prop-1-en-2-ylthiane 1,1-dioxide is C=C(C)C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-prop-1-en-2-ylthiane 1,1-dioxide?
The InChIKey is WXTNMTGFOFYEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(2)8-3-5-11(9,10)6-4-8/h8H,1,3-6H2,2H3.
What are the key properties of 4-prop-1-en-2-ylthiane 1,1-dioxide?
4-prop-1-en-2-ylthiane 1,1-dioxide has a molecular weight of 174.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylthiane 1,1-dioxide is sourced from PubChem (CID 89476824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).