3-prop-2-enylthiolane 1,1-dioxide

C7H12O2S — CID 70441335

IUPAC3-prop-2-enylthiolane 1,1-dioxide
SMILESC=CCC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S/c1-2-3-7-4-5-10(8,9)6-7/h2,7H,1,3-6H2
InChIKeyIQEGQONUOZHVMD-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.00
Rot. Bonds2

About 3-prop-2-enylthiolane 1,1-dioxide

3-prop-2-enylthiolane 1,1-dioxide (PubChem CID 70441335) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-prop-2-enylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-prop-2-enylthiolane 1,1-dioxide
PubChem CID70441335
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name3-prop-2-enylthiolane 1,1-dioxide
SMILESC=CCC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12O2S/c1-2-3-7-4-5-10(8,9)6-7/h2,7H,1,3-6H2
InChIKeyIQEGQONUOZHVMD-UHFFFAOYSA-N
XLogP1.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylthiolane 1,1-dioxide?
The IUPAC name of 3-prop-2-enylthiolane 1,1-dioxide (CID 70441335) is 3-prop-2-enylthiolane 1,1-dioxide.
What is the SMILES notation for 3-prop-2-enylthiolane 1,1-dioxide?
The canonical SMILES for 3-prop-2-enylthiolane 1,1-dioxide is C=CCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-prop-2-enylthiolane 1,1-dioxide?
The InChIKey is IQEGQONUOZHVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-3-7-4-5-10(8,9)6-7/h2,7H,1,3-6H2.
What are the key properties of 3-prop-2-enylthiolane 1,1-dioxide?
3-prop-2-enylthiolane 1,1-dioxide has a molecular weight of 160.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylthiolane 1,1-dioxide is sourced from PubChem (CID 70441335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).