4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide

C5H8O4S2 — CID 87303044

IUPAC4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESC=CC1CS(=O)(=O)CS1(=O)=O
InChIInChI=1S/C5H8O4S2/c1-2-5-3-10(6,7)4-11(5,8)9/h2,5H,1,3-4H2
InChIKeyBHKIJNQYHBYCBF-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.66
Rot. Bonds1

About 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide

4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide (PubChem CID 87303044) has the molecular formula C5H8O4S2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide
PubChem CID87303044
Molecular FormulaC5H8O4S2
Molecular Weight196.25 g/mol
Exact Mass195.99
IUPAC Name4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESC=CC1CS(=O)(=O)CS1(=O)=O
InChIInChI=1S/C5H8O4S2/c1-2-5-3-10(6,7)4-11(5,8)9/h2,5H,1,3-4H2
InChIKeyBHKIJNQYHBYCBF-UHFFFAOYSA-N
XLogP-0.66
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The IUPAC name of 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide (CID 87303044) is 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The canonical SMILES for 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide is C=CC1CS(=O)(=O)CS1(=O)=O.
What is the InChIKey of 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The InChIKey is BHKIJNQYHBYCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4S2/c1-2-5-3-10(6,7)4-11(5,8)9/h2,5H,1,3-4H2.
What are the key properties of 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide?
4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide has a molecular weight of 196.25 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide is sourced from PubChem (CID 87303044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).