potassium 2-methylprop-2-ene-1-sulfonate

C4H7KO3S — CID 23670616

IUPACpotassium 2-methylprop-2-ene-1-sulfonate
SMILESC=C(C)CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8O3S.K/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);/q;+1/p-1
InChIKeyIZCABQCSROGIGG-UHFFFAOYSA-M
MW174.26 g/mol
LogP-2.89
Rot. Bonds2

About potassium 2-methylprop-2-ene-1-sulfonate

potassium 2-methylprop-2-ene-1-sulfonate (PubChem CID 23670616) has the molecular formula C4H7KO3S and a molecular weight of 174.26 g/mol. Its IUPAC name is potassium 2-methylprop-2-ene-1-sulfonate.

Molecular Properties

Compound Namepotassium 2-methylprop-2-ene-1-sulfonate
PubChem CID23670616
Molecular FormulaC4H7KO3S
Molecular Weight174.26 g/mol
Exact Mass173.98
IUPAC Namepotassium 2-methylprop-2-ene-1-sulfonate
SMILESC=C(C)CS(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H8O3S.K/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);/q;+1/p-1
InChIKeyIZCABQCSROGIGG-UHFFFAOYSA-M
XLogP-2.89
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 5-2.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sodium methallylsulfonate
CID 23663624
2-Methylprop-2-ene-1-sulfonyl chloride
CID 12186909
2-Methylprop-2-ene-1-sulfonic acid
CID 73800
2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)
CID 3262020
2-Methylprop-2-ene-1-sulfonyl fluoride
CID 12186910
Sodium isobutylene sulfonate
CID 101640369
Ammonium 2-methylprop-2-ene-1-sulfonate
CID 21188244
2-Methylprop-1-ene-1-sulfonyl fluoride
CID 88781101
Silyl methallylsulfinate
CID 129846411
Sodium 2-methylprop-2-ene-1-sulfinate
CID 138981384
2-Methylprop-2-ene-1-sulfinate
CID 5035958
1-Ethylsulfonyl-2-methylprop-1-ene
CID 12431665

Frequently Asked Questions

What is the IUPAC name of potassium 2-methylprop-2-ene-1-sulfonate?
The IUPAC name of potassium 2-methylprop-2-ene-1-sulfonate (CID 23670616) is potassium 2-methylprop-2-ene-1-sulfonate.
What is the SMILES notation for potassium 2-methylprop-2-ene-1-sulfonate?
The canonical SMILES for potassium 2-methylprop-2-ene-1-sulfonate is C=C(C)CS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-methylprop-2-ene-1-sulfonate?
The InChIKey is IZCABQCSROGIGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O3S.K/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium 2-methylprop-2-ene-1-sulfonate?
potassium 2-methylprop-2-ene-1-sulfonate has a molecular weight of 174.26 g/mol, XLogP of -2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylprop-2-ene-1-sulfonate is sourced from PubChem (CID 23670616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).