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

C6H11NaO3S — CID 88807724

IUPACsodium;prop-1-ene;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.C=C[CH2-].[Na+]
InChIInChI=1S/C3H6O3S.C3H5.Na/c1-2-3-7(4,5)6;1-3-2;/h2H,1,3H2,(H,4,5,6);3H,1-2H2;/q;-1;+1
InChIKeyHBZPPHVSFHPIOJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.93
Rot. Bonds2

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

sodium;prop-1-ene;prop-2-ene-1-sulfonic acid (PubChem CID 88807724) has the molecular formula C6H11NaO3S and a molecular weight of 186.21 g/mol. Its IUPAC name is sodium;prop-1-ene;prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namesodium;prop-1-ene;prop-2-ene-1-sulfonic acid
PubChem CID88807724
Molecular FormulaC6H11NaO3S
Molecular Weight186.21 g/mol
Exact Mass186.03
IUPAC Namesodium;prop-1-ene;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.C=C[CH2-].[Na+]
InChIInChI=1S/C3H6O3S.C3H5.Na/c1-2-3-7(4,5)6;1-3-2;/h2H,1,3H2,(H,4,5,6);3H,1-2H2;/q;-1;+1
InChIKeyHBZPPHVSFHPIOJ-UHFFFAOYSA-N
XLogP-1.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
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
sodium;prop-2-ene-1-sulfonic acid;trifluoromethane
CID 174596418
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
CID 87348389
prop-2-ene-1-sulfonic acid;prop-2-ene-1-thiol
CID 155045725
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
sodium;hydride;4-oxo-4-prop-2-enoxybutanoic acid;prop-2-ene-1-sulfonic acid
CID 175217911
prop-2-ene-1-sulfonic acid;trimethyl(octyl)azanium
CID 88536950

Frequently Asked Questions

What is the IUPAC name of sodium;prop-1-ene;prop-2-ene-1-sulfonic acid?
The IUPAC name of sodium;prop-1-ene;prop-2-ene-1-sulfonic acid (CID 88807724) is sodium;prop-1-ene;prop-2-ene-1-sulfonic acid.
What is the SMILES notation for sodium;prop-1-ene;prop-2-ene-1-sulfonic acid?
The canonical SMILES for sodium;prop-1-ene;prop-2-ene-1-sulfonic acid is C=CCS(=O)(=O)O.C=C[CH2-].[Na+].
What is the InChIKey of sodium;prop-1-ene;prop-2-ene-1-sulfonic acid?
The InChIKey is HBZPPHVSFHPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.C3H5.Na/c1-2-3-7(4,5)6;1-3-2;/h2H,1,3H2,(H,4,5,6);3H,1-2H2;/q;-1;+1.
What are the key properties of sodium;prop-1-ene;prop-2-ene-1-sulfonic acid?
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid has a molecular weight of 186.21 g/mol, XLogP of -1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;prop-1-ene;prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 88807724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).