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

C3H9O3PS — CID 87475193

IUPACphosphane;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.P
InChIInChI=1S/C3H6O3S.H3P/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);1H3
InChIKeyLSKYBFLBIKLBIP-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.12
Rot. Bonds2

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

phosphane;prop-2-ene-1-sulfonic acid (PubChem CID 87475193) has the molecular formula C3H9O3PS and a molecular weight of 156.14 g/mol. Its IUPAC name is phosphane;prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namephosphane;prop-2-ene-1-sulfonic acid
PubChem CID87475193
Molecular FormulaC3H9O3PS
Molecular Weight156.14 g/mol
Exact Mass156.00
IUPAC Namephosphane;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.P
InChIInChI=1S/C3H6O3S.H3P/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);1H3
InChIKeyLSKYBFLBIKLBIP-UHFFFAOYSA-N
XLogP0.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nickel;prop-2-ene-1-sulfonic acid
CID 87111330
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid
CID 88807724
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
prop-2-ene-1-sulfonic acid;prop-2-ene-1-thiol
CID 155045725
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
CID 87348389
sodium;prop-2-ene-1-sulfonic acid;trifluoromethane
CID 174596418
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
prop-2-ene-1-sulfonic acid;trimethyl(octyl)azanium
CID 88536950
sodium;hydride;4-oxo-4-prop-2-enoxybutanoic acid;prop-2-ene-1-sulfonic acid
CID 175217911

Frequently Asked Questions

What is the IUPAC name of phosphane;prop-2-ene-1-sulfonic acid?
The IUPAC name of phosphane;prop-2-ene-1-sulfonic acid (CID 87475193) is phosphane;prop-2-ene-1-sulfonic acid.
What is the SMILES notation for phosphane;prop-2-ene-1-sulfonic acid?
The canonical SMILES for phosphane;prop-2-ene-1-sulfonic acid is C=CCS(=O)(=O)O.P.
What is the InChIKey of phosphane;prop-2-ene-1-sulfonic acid?
The InChIKey is LSKYBFLBIKLBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.H3P/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);1H3.
What are the key properties of phosphane;prop-2-ene-1-sulfonic acid?
phosphane;prop-2-ene-1-sulfonic acid has a molecular weight of 156.14 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 87475193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).