2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)

C4H7O3S- — CID 3262020

IUPAC2-methylprop-2-ene-1-sulfonate
SMILESCC(=C)CS(=O)(=O)[O-]
InChIInChI=1S/C4H8O3S/c1-4(2)3-8(5,6)7/h1,3H2,2H3,(H,5,6,7)/p-1
InChIKeyXEEYSDHEOQHCDA-UHFFFAOYSA-M
MW135.16 g/mol
LogP0.30
Rot. Bonds1

About 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)

2-Propene-1-sulfonic acid, 2-methyl-, ion(1-) (PubChem CID 3262020) has the molecular formula C4H7O3S- and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-methylprop-2-ene-1-sulfonate.

Molecular Properties

Compound Name2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)
PubChem CID3262020
Molecular FormulaC4H7O3S-
Molecular Weight135.16 g/mol
Exact Mass135.01
IUPAC Name2-methylprop-2-ene-1-sulfonate
SMILESCC(=C)CS(=O)(=O)[O-]
InChIInChI=1S/C4H8O3S/c1-4(2)3-8(5,6)7/h1,3H2,2H3,(H,5,6,7)/p-1
InChIKeyXEEYSDHEOQHCDA-UHFFFAOYSA-M
XLogP0.30
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity159

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 50.30
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'}

Analyze 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)?
The IUPAC name of 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-) (CID 3262020) is 2-methylprop-2-ene-1-sulfonate.
What is the SMILES notation for 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)?
The canonical SMILES for 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-) is CC(=C)CS(=O)(=O)[O-].
What is the InChIKey of 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)?
The InChIKey is XEEYSDHEOQHCDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O3S/c1-4(2)3-8(5,6)7/h1,3H2,2H3,(H,5,6,7)/p-1.
What are the key properties of 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)?
2-Propene-1-sulfonic acid, 2-methyl-, ion(1-) has a molecular weight of 135.16 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propene-1-sulfonic acid, 2-methyl-, ion(1-) is sourced from PubChem (CID 3262020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).