phosphoric acid;prop-1-ene-2-sulfonic acid

C3H9O7PS — CID 174589208

IUPACphosphoric acid;prop-1-ene-2-sulfonic acid
SMILESC=C(C)S(=O)(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H6O3S.H3O4P/c1-3(2)7(4,5)6;1-5(2,3)4/h1H2,2H3,(H,4,5,6);(H3,1,2,3,4)
InChIKeySFBBRVYHBUGXGE-UHFFFAOYSA-N
MW220.14 g/mol
LogP-0.52
Rot. Bonds1

About phosphoric acid;prop-1-ene-2-sulfonic acid

phosphoric acid;prop-1-ene-2-sulfonic acid (PubChem CID 174589208) has the molecular formula C3H9O7PS and a molecular weight of 220.14 g/mol. Its IUPAC name is phosphoric acid;prop-1-ene-2-sulfonic acid.

Molecular Properties

Compound Namephosphoric acid;prop-1-ene-2-sulfonic acid
PubChem CID174589208
Molecular FormulaC3H9O7PS
Molecular Weight220.14 g/mol
Exact Mass219.98
IUPAC Namephosphoric acid;prop-1-ene-2-sulfonic acid
SMILESC=C(C)S(=O)(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H6O3S.H3O4P/c1-3(2)7(4,5)6;1-5(2,3)4/h1H2,2H3,(H,4,5,6);(H3,1,2,3,4)
InChIKeySFBBRVYHBUGXGE-UHFFFAOYSA-N
XLogP-0.52
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methanol;2-methylprop-2-enoic acid;phosphoric acid
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bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
CID 174825313
boric acid;phosphoric acid;sulfuric acid
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phosphoric acid;phosphorous acid;sulfuric acid
CID 157192236
CID 87134255
CID 87134255
tetralithium;hydride;phosphoric acid
CID 173293276
[hydroxy(methyl)phosphoryl]methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;prop-1-ene-2-sulfonic acid?
The IUPAC name of phosphoric acid;prop-1-ene-2-sulfonic acid (CID 174589208) is phosphoric acid;prop-1-ene-2-sulfonic acid.
What is the SMILES notation for phosphoric acid;prop-1-ene-2-sulfonic acid?
The canonical SMILES for phosphoric acid;prop-1-ene-2-sulfonic acid is C=C(C)S(=O)(=O)O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;prop-1-ene-2-sulfonic acid?
The InChIKey is SFBBRVYHBUGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.H3O4P/c1-3(2)7(4,5)6;1-5(2,3)4/h1H2,2H3,(H,4,5,6);(H3,1,2,3,4).
What are the key properties of phosphoric acid;prop-1-ene-2-sulfonic acid?
phosphoric acid;prop-1-ene-2-sulfonic acid has a molecular weight of 220.14 g/mol, XLogP of -0.52, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;prop-1-ene-2-sulfonic acid is sourced from PubChem (CID 174589208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).