ethenesulfonic acid;ethenyl dihydrogen phosphate

C4H9O7PS — CID 158247102

IUPACethenesulfonic acid;ethenyl dihydrogen phosphate
SMILESC=COP(=O)(O)O.C=CS(=O)(=O)O
InChIInChI=1S/C2H5O4P.C2H4O3S/c1-2-6-7(3,4)5;1-2-6(3,4)5/h2H,1H2,(H2,3,4,5);2H,1H2,(H,3,4,5)
InChIKeyGGGFQGKSWQTNBZ-UHFFFAOYSA-N
MW232.15 g/mol
LogP0.26
Rot. Bonds3

About ethenesulfonic acid;ethenyl dihydrogen phosphate

ethenesulfonic acid;ethenyl dihydrogen phosphate (PubChem CID 158247102) has the molecular formula C4H9O7PS and a molecular weight of 232.15 g/mol. Its IUPAC name is ethenesulfonic acid;ethenyl dihydrogen phosphate.

Molecular Properties

Compound Nameethenesulfonic acid;ethenyl dihydrogen phosphate
PubChem CID158247102
Molecular FormulaC4H9O7PS
Molecular Weight232.15 g/mol
Exact Mass231.98
IUPAC Nameethenesulfonic acid;ethenyl dihydrogen phosphate
SMILESC=COP(=O)(O)O.C=CS(=O)(=O)O
InChIInChI=1S/C2H5O4P.C2H4O3S/c1-2-6-7(3,4)5;1-2-6(3,4)5/h2H,1H2,(H2,3,4,5);2H,1H2,(H,3,4,5)
InChIKeyGGGFQGKSWQTNBZ-UHFFFAOYSA-N
XLogP0.26
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
ethenesulfonic acid;2-methylbuta-1,3-diene
CID 162209988
CID 88655409
CID 88655409
ethenesulfonate;holmium(3+)
CID 163217157
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
1-bis(ethenyl)phosphoryloxyethene
CID 87155072
hydroxy dihydrogen phosphate;sulfuric acid;zinc
CID 174227864
O-phosphono methanethioate
CID 141218464
[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium
CID 56634520
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
[ethenoxy(hydroxy)phosphoryl] carbamate
CID 163620088
bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337

Frequently Asked Questions

What is the IUPAC name of ethenesulfonic acid;ethenyl dihydrogen phosphate?
The IUPAC name of ethenesulfonic acid;ethenyl dihydrogen phosphate (CID 158247102) is ethenesulfonic acid;ethenyl dihydrogen phosphate.
What is the SMILES notation for ethenesulfonic acid;ethenyl dihydrogen phosphate?
The canonical SMILES for ethenesulfonic acid;ethenyl dihydrogen phosphate is C=COP(=O)(O)O.C=CS(=O)(=O)O.
What is the InChIKey of ethenesulfonic acid;ethenyl dihydrogen phosphate?
The InChIKey is GGGFQGKSWQTNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O4P.C2H4O3S/c1-2-6-7(3,4)5;1-2-6(3,4)5/h2H,1H2,(H2,3,4,5);2H,1H2,(H,3,4,5).
What are the key properties of ethenesulfonic acid;ethenyl dihydrogen phosphate?
ethenesulfonic acid;ethenyl dihydrogen phosphate has a molecular weight of 232.15 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenesulfonic acid;ethenyl dihydrogen phosphate is sourced from PubChem (CID 158247102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).