1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate

C4H8O8S2 — CID 175600766

IUPAC1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate
SMILESC=COS(=O)(=O)O.O=S1(=O)OCCO1
InChIInChI=1S/2C2H4O4S/c3-7(4)5-1-2-6-7;1-2-6-7(3,4)5/h1-2H2;2H,1H2,(H,3,4,5)
InChIKeyRNFVVOPZNIYHBV-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.77
Rot. Bonds2

About 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate

1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate (PubChem CID 175600766) has the molecular formula C4H8O8S2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate.

Molecular Properties

Compound Name1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate
PubChem CID175600766
Molecular FormulaC4H8O8S2
Molecular Weight248.23 g/mol
Exact Mass247.97
IUPAC Name1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate
SMILESC=COS(=O)(=O)O.O=S1(=O)OCCO1
InChIInChI=1S/2C2H4O4S/c3-7(4)5-1-2-6-7;1-2-6-7(3,4)5/h1-2H2;2H,1H2,(H,3,4,5)
InChIKeyRNFVVOPZNIYHBV-UHFFFAOYSA-N
XLogP-0.77
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate?
The IUPAC name of 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate (CID 175600766) is 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate.
What is the SMILES notation for 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate?
The canonical SMILES for 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate is C=COS(=O)(=O)O.O=S1(=O)OCCO1.
What is the InChIKey of 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate?
The InChIKey is RNFVVOPZNIYHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O4S/c3-7(4)5-1-2-6-7;1-2-6-7(3,4)5/h1-2H2;2H,1H2,(H,3,4,5).
What are the key properties of 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate?
1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate has a molecular weight of 248.23 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate is sourced from PubChem (CID 175600766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).