(2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite

C5H8O10S3 — CID 170657902

IUPAC(2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite
SMILESO=S(OC1CCS(=O)(=O)O1)OC1COS(=O)(=O)O1
InChIInChI=1S/C5H8O10S3/c6-16(12-4-1-2-17(7,8)14-4)13-5-3-11-18(9,10)15-5/h4-5H,1-3H2
InChIKeyGIAKYXLKAFWIOL-UHFFFAOYSA-N
MW324.31 g/mol
LogP-1.71
Rot. Bonds4

About (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite

(2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite (PubChem CID 170657902) has the molecular formula C5H8O10S3 and a molecular weight of 324.31 g/mol. Its IUPAC name is (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite.

Molecular Properties

Compound Name(2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite
PubChem CID170657902
Molecular FormulaC5H8O10S3
Molecular Weight324.31 g/mol
Exact Mass323.93
IUPAC Name(2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite
SMILESO=S(OC1CCS(=O)(=O)O1)OC1COS(=O)(=O)O1
InChIInChI=1S/C5H8O10S3/c6-16(12-4-1-2-17(7,8)14-4)13-5-3-11-18(9,10)15-5/h4-5H,1-3H2
InChIKeyGIAKYXLKAFWIOL-UHFFFAOYSA-N
XLogP-1.71
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 90003752
CID 90003752
CID 152640771
CID 152640771
CID 153934609
CID 153934609
CID 161588010
CID 161588010
CID 161946811
CID 161946811
CID 169746055
CID 169746055

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite?
The IUPAC name of (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite (CID 170657902) is (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite.
What is the SMILES notation for (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite?
The canonical SMILES for (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite is O=S(OC1CCS(=O)(=O)O1)OC1COS(=O)(=O)O1.
What is the InChIKey of (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite?
The InChIKey is GIAKYXLKAFWIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O10S3/c6-16(12-4-1-2-17(7,8)14-4)13-5-3-11-18(9,10)15-5/h4-5H,1-3H2.
What are the key properties of (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite?
(2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite has a molecular weight of 324.31 g/mol, XLogP of -1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-1,3,2-dioxathiolan-4-yl) (2,2-dioxooxathiolan-5-yl) sulfite is sourced from PubChem (CID 170657902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).