1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid

C2H6O8S2 — CID 172854846

IUPAC1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid
SMILESO=S(=O)(O)O.O=S1(=O)OCCO1
InChIInChI=1S/C2H4O4S.H2O4S/c3-7(4)5-1-2-6-7;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)
InChIKeyYOCRUIUATRLEFO-UHFFFAOYSA-N
MW222.20 g/mol
LogP-1.37
Rot. Bonds

About 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid

1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid (PubChem CID 172854846) has the molecular formula C2H6O8S2 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid.

Molecular Properties

Compound Name1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid
PubChem CID172854846
Molecular FormulaC2H6O8S2
Molecular Weight222.20 g/mol
Exact Mass221.95
IUPAC Name1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid
SMILESO=S(=O)(O)O.O=S1(=O)OCCO1
InChIInChI=1S/C2H4O4S.H2O4S/c3-7(4)5-1-2-6-7;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)
InChIKeyYOCRUIUATRLEFO-UHFFFAOYSA-N
XLogP-1.37
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid?
The IUPAC name of 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid (CID 172854846) is 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid.
What is the SMILES notation for 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid?
The canonical SMILES for 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid is O=S(=O)(O)O.O=S1(=O)OCCO1.
What is the InChIKey of 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid?
The InChIKey is YOCRUIUATRLEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4S.H2O4S/c3-7(4)5-1-2-6-7;1-5(2,3)4/h1-2H2;(H2,1,2,3,4).
What are the key properties of 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid?
1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid has a molecular weight of 222.20 g/mol, XLogP of -1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid is sourced from PubChem (CID 172854846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).