3-ethenyloxathiolane 2,2-dioxide

C5H8O3S — CID 59021308

IUPAC3-ethenyloxathiolane 2,2-dioxide
SMILESC=CC1CCOS1(=O)=O
InChIInChI=1S/C5H8O3S/c1-2-5-3-4-8-9(5,6)7/h2,5H,1,3-4H2
InChIKeyLKUBQWMKHDCVRM-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.29
Rot. Bonds1

About 3-ethenyloxathiolane 2,2-dioxide

3-ethenyloxathiolane 2,2-dioxide (PubChem CID 59021308) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 3-ethenyloxathiolane 2,2-dioxide.

Molecular Properties

Compound Name3-ethenyloxathiolane 2,2-dioxide
PubChem CID59021308
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name3-ethenyloxathiolane 2,2-dioxide
SMILESC=CC1CCOS1(=O)=O
InChIInChI=1S/C5H8O3S/c1-2-5-3-4-8-9(5,6)7/h2,5H,1,3-4H2
InChIKeyLKUBQWMKHDCVRM-UHFFFAOYSA-N
XLogP0.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2,2-dioxooxathiolan-3-yl)methanol
CID 154005976
3-bromooxathiolane 2,2-dioxide
CID 71376473
1,3,2-dioxathiolane 2,2-dioxide;3-prop-2-enoxyprop-1-ene;hydrate
CID 174358407
(2,2-dioxooxathiolan-3-yl) 2,2-dimethylpropanoate
CID 90002320
(2,2-dioxooxathiolan-3-yl) ethyl carbonate
CID 90002943
prop-2-en-1-ol;1,2,4,3-trioxathiane 3,3-dioxide;hydrate
CID 174844626
N-(oxan-4-yl)-N-prop-2-enylformamide
CID 145331941
(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
CID 11240580
4-iodo-1,3,2-dioxathiolane 2,2-dioxide
CID 90360634
3-pent-4-enyloxolan-2-one
CID 139448427
3-methyl-1,6,2,5-dioxadithionane 2,2,5,5-tetraoxide
CID 175532394
4-ethenyloxan-2-one
CID 543133

Frequently Asked Questions

What is the IUPAC name of 3-ethenyloxathiolane 2,2-dioxide?
The IUPAC name of 3-ethenyloxathiolane 2,2-dioxide (CID 59021308) is 3-ethenyloxathiolane 2,2-dioxide.
What is the SMILES notation for 3-ethenyloxathiolane 2,2-dioxide?
The canonical SMILES for 3-ethenyloxathiolane 2,2-dioxide is C=CC1CCOS1(=O)=O.
What is the InChIKey of 3-ethenyloxathiolane 2,2-dioxide?
The InChIKey is LKUBQWMKHDCVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-2-5-3-4-8-9(5,6)7/h2,5H,1,3-4H2.
What are the key properties of 3-ethenyloxathiolane 2,2-dioxide?
3-ethenyloxathiolane 2,2-dioxide has a molecular weight of 148.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyloxathiolane 2,2-dioxide is sourced from PubChem (CID 59021308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).