dimethyl ethene-1,2-disulfonate

C4H8O6S2 — CID 175077236

IUPACdimethyl ethene-1,2-disulfonate
SMILESCOS(=O)(=O)C=CS(=O)(=O)OC
InChIInChI=1S/C4H8O6S2/c1-9-11(5,6)3-4-12(7,8)10-2/h3-4H,1-2H3
InChIKeySVTZHCRITAGMGA-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.59
Rot. Bonds4

About dimethyl ethene-1,2-disulfonate

dimethyl ethene-1,2-disulfonate (PubChem CID 175077236) has the molecular formula C4H8O6S2 and a molecular weight of 216.24 g/mol. Its IUPAC name is dimethyl ethene-1,2-disulfonate.

Molecular Properties

Compound Namedimethyl ethene-1,2-disulfonate
PubChem CID175077236
Molecular FormulaC4H8O6S2
Molecular Weight216.24 g/mol
Exact Mass215.98
IUPAC Namedimethyl ethene-1,2-disulfonate
SMILESCOS(=O)(=O)C=CS(=O)(=O)OC
InChIInChI=1S/C4H8O6S2/c1-9-11(5,6)3-4-12(7,8)10-2/h3-4H,1-2H3
InChIKeySVTZHCRITAGMGA-UHFFFAOYSA-N
XLogP-0.59
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-aminoprop-1-ene-1-sulfonate
CID 135138121
methyl pent-1-ene-1-sulfonate
CID 76785645
methyl 2-(4-hydroxyphenyl)ethenesulfonate
CID 123963649
CID 86609602
CID 86609602
gold(1+);methyl sulfate
CID 11965801
potassium;dimethyl sulfate;hydroxide
CID 88595452
methyl hydrogen sulfate;hydrobromide
CID 87338714
copper;methyl hydrogen sulfate
CID 175275891
(hydroxysulfonimidoyl)oxymethane
CID 58683502
benzene;dimethyl sulfate
CID 87950048
(aminosulfonimidoyl)oxymethane
CID 87923018
dimethyl sulfate;hydrazine;hydrate
CID 175123496

Frequently Asked Questions

What is the IUPAC name of dimethyl ethene-1,2-disulfonate?
The IUPAC name of dimethyl ethene-1,2-disulfonate (CID 175077236) is dimethyl ethene-1,2-disulfonate.
What is the SMILES notation for dimethyl ethene-1,2-disulfonate?
The canonical SMILES for dimethyl ethene-1,2-disulfonate is COS(=O)(=O)C=CS(=O)(=O)OC.
What is the InChIKey of dimethyl ethene-1,2-disulfonate?
The InChIKey is SVTZHCRITAGMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6S2/c1-9-11(5,6)3-4-12(7,8)10-2/h3-4H,1-2H3.
What are the key properties of dimethyl ethene-1,2-disulfonate?
dimethyl ethene-1,2-disulfonate has a molecular weight of 216.24 g/mol, XLogP of -0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl ethene-1,2-disulfonate is sourced from PubChem (CID 175077236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).