bis(ethenyl) propane-1,3-disulfonate

C7H12O6S2 — CID 151103891

IUPACbis(ethenyl) propane-1,3-disulfonate
SMILESC=COS(=O)(=O)CCCS(=O)(=O)OC=C
InChIInChI=1S/C7H12O6S2/c1-3-12-14(8,9)6-5-7-15(10,11)13-4-2/h3-4H,1-2,5-7H2
InChIKeyMORNITYHWPODHI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.36
Rot. Bonds8

About bis(ethenyl) propane-1,3-disulfonate

bis(ethenyl) propane-1,3-disulfonate (PubChem CID 151103891) has the molecular formula C7H12O6S2 and a molecular weight of 256.30 g/mol. Its IUPAC name is bis(ethenyl) propane-1,3-disulfonate.

Molecular Properties

Compound Namebis(ethenyl) propane-1,3-disulfonate
PubChem CID151103891
Molecular FormulaC7H12O6S2
Molecular Weight256.30 g/mol
Exact Mass256.01
IUPAC Namebis(ethenyl) propane-1,3-disulfonate
SMILESC=COS(=O)(=O)CCCS(=O)(=O)OC=C
InChIInChI=1S/C7H12O6S2/c1-3-12-14(8,9)6-5-7-15(10,11)13-4-2/h3-4H,1-2,5-7H2
InChIKeyMORNITYHWPODHI-UHFFFAOYSA-N
XLogP0.36
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Propyl ethenesulfonate
CID 12260021
3-Ethenylsulfonyloxypropyl ethenesulfonate
CID 13685177
Ethoxysulfanium;propane-1-sulfonate
CID 20394099
Ethenyl ethanesulfonate
CID 21445178
2-Ethenoxysulfonylethanesulfonic acid
CID 21850931
Bis(ethenyl) butane-1,4-disulfonate
CID 21972135
Ethenoxysulfinylmethyl ethenesulfinate
CID 22947161
Ethenyl butane-1-sulfonate
CID 54272369
Ethoxysulfonyl ethenesulfonate
CID 56628394
2-Ethenoxyethenyl propane-1-sulfonate
CID 57270398
3-(3-Sulfinatooxypropyldisulfanyl)propane-1-sulfonate
CID 57653282
Potassium 3-ethenoxypropane-1-sulfonate
CID 58689616

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) propane-1,3-disulfonate?
The IUPAC name of bis(ethenyl) propane-1,3-disulfonate (CID 151103891) is bis(ethenyl) propane-1,3-disulfonate.
What is the SMILES notation for bis(ethenyl) propane-1,3-disulfonate?
The canonical SMILES for bis(ethenyl) propane-1,3-disulfonate is C=COS(=O)(=O)CCCS(=O)(=O)OC=C.
What is the InChIKey of bis(ethenyl) propane-1,3-disulfonate?
The InChIKey is MORNITYHWPODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6S2/c1-3-12-14(8,9)6-5-7-15(10,11)13-4-2/h3-4H,1-2,5-7H2.
What are the key properties of bis(ethenyl) propane-1,3-disulfonate?
bis(ethenyl) propane-1,3-disulfonate has a molecular weight of 256.30 g/mol, XLogP of 0.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) propane-1,3-disulfonate is sourced from PubChem (CID 151103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).