4-ethenyl-1,3-dioxolane-2,2-dithiol

C5H8O2S2 — CID 150124062

IUPAC4-ethenyl-1,3-dioxolane-2,2-dithiol
SMILESC=CC1COC(S)(S)O1
InChIInChI=1S/C5H8O2S2/c1-2-4-3-6-5(8,9)7-4/h2,4,8-9H,1,3H2
InChIKeyDZVVBHJMSVCOGW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.06
Rot. Bonds1

About 4-ethenyl-1,3-dioxolane-2,2-dithiol

4-ethenyl-1,3-dioxolane-2,2-dithiol (PubChem CID 150124062) has the molecular formula C5H8O2S2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-ethenyl-1,3-dioxolane-2,2-dithiol.

Molecular Properties

Compound Name4-ethenyl-1,3-dioxolane-2,2-dithiol
PubChem CID150124062
Molecular FormulaC5H8O2S2
Molecular Weight164.25 g/mol
Exact Mass164.00
IUPAC Name4-ethenyl-1,3-dioxolane-2,2-dithiol
SMILESC=CC1COC(S)(S)O1
InChIInChI=1S/C5H8O2S2/c1-2-4-3-6-5(8,9)7-4/h2,4,8-9H,1,3H2
InChIKeyDZVVBHJMSVCOGW-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-1,4,8-trioxaspiro[4.5]decane
CID 143310490
4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol
CID 87747392
3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane
CID 143254368
2-(3,5-dimethylhex-4-enyl)-4-ethenyl-2-methyl-1,3-dioxolane
CID 71471494
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 58827418
(2R,8R)-2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 101440859
2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane
CID 142899266
2-prop-2-enyloxirane-2-thiol
CID 173350724
(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
2-butan-2-yl-4-ethenyl-1,3-dioxolane
CID 71471387
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,3-dioxolane-2,2-dithiol?
The IUPAC name of 4-ethenyl-1,3-dioxolane-2,2-dithiol (CID 150124062) is 4-ethenyl-1,3-dioxolane-2,2-dithiol.
What is the SMILES notation for 4-ethenyl-1,3-dioxolane-2,2-dithiol?
The canonical SMILES for 4-ethenyl-1,3-dioxolane-2,2-dithiol is C=CC1COC(S)(S)O1.
What is the InChIKey of 4-ethenyl-1,3-dioxolane-2,2-dithiol?
The InChIKey is DZVVBHJMSVCOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S2/c1-2-4-3-6-5(8,9)7-4/h2,4,8-9H,1,3H2.
What are the key properties of 4-ethenyl-1,3-dioxolane-2,2-dithiol?
4-ethenyl-1,3-dioxolane-2,2-dithiol has a molecular weight of 164.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-dioxolane-2,2-dithiol is sourced from PubChem (CID 150124062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).