2-methylprop-2-ene-1-sulfonate

C4H7O3S- — CID 3262020

IUPAC2-methylprop-2-ene-1-sulfonate
SMILESC=C(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
LogP0.11
Rot. Bonds2

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

2-methylprop-2-ene-1-sulfonate (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-methylprop-2-ene-1-sulfonate
PubChem CID3262020
Molecular FormulaC4H7O3S-
Molecular Weight135.16 g/mol
Exact Mass135.01
IUPAC Name2-methylprop-2-ene-1-sulfonate
SMILESC=C(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
XLogP0.11
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 50.11
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-Methylprop-2-ene-1-sulfonamide
CID 20206131
Isobu-tylene sulfonic acid
CID 14981884
Methyl 2-methyl-2-propenyl sulfone
CID 5324760
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

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-ene-1-sulfonate?
The IUPAC name of 2-methylprop-2-ene-1-sulfonate (CID 3262020) is 2-methylprop-2-ene-1-sulfonate.
What is the SMILES notation for 2-methylprop-2-ene-1-sulfonate?
The canonical SMILES for 2-methylprop-2-ene-1-sulfonate is C=C(C)CS(=O)(=O)[O-].
What is the InChIKey of 2-methylprop-2-ene-1-sulfonate?
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-methylprop-2-ene-1-sulfonate?
2-methylprop-2-ene-1-sulfonate has a molecular weight of 135.16 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-ene-1-sulfonate is sourced from PubChem (CID 3262020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).