2-methoxyprop-2-ene-1-sulfonic acid

C4H8O4S — CID 175208097

IUPAC2-methoxyprop-2-ene-1-sulfonic acid
SMILESC=C(CS(=O)(=O)O)OC
InChIInChI=1S/C4H8O4S/c1-4(8-2)3-9(5,6)7/h1,3H2,2H3,(H,5,6,7)
InChIKeyBJFZEKIDYDHVFM-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.03
Rot. Bonds3

About 2-methoxyprop-2-ene-1-sulfonic acid

2-methoxyprop-2-ene-1-sulfonic acid (PubChem CID 175208097) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-methoxyprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name2-methoxyprop-2-ene-1-sulfonic acid
PubChem CID175208097
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name2-methoxyprop-2-ene-1-sulfonic acid
SMILESC=C(CS(=O)(=O)O)OC
InChIInChI=1S/C4H8O4S/c1-4(8-2)3-9(5,6)7/h1,3H2,2H3,(H,5,6,7)
InChIKeyBJFZEKIDYDHVFM-UHFFFAOYSA-N
XLogP0.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-methoxyprop-2-ene-1-sulfonic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-methylprop-2-ene-1-sulfonic acid;yttrium
CID 20670845
prop-2-ene-1,2-disulfonic acid
CID 87689860
magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879880
calcium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879873
2-fluoroprop-2-ene-1-sulfonic acid
CID 87155261
2-bromoprop-2-ene-1-sulfonic acid
CID 175061384
2-methylidenepentane-1-sulfonic acid
CID 88537224
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-ene-1-sulfonic acid
CID 87208629
N,N-diethylethanamine;2-methylprop-2-ene-1-sulfonic acid
CID 174514420
sodium;methanesulfonic acid;iodide
CID 87541742
ethane;2-sulfoacetic acid
CID 87201731
dimethyl propanedioate;methanesulfonic acid
CID 172769091

Frequently Asked Questions

What is the IUPAC name of 2-methoxyprop-2-ene-1-sulfonic acid?
The IUPAC name of 2-methoxyprop-2-ene-1-sulfonic acid (CID 175208097) is 2-methoxyprop-2-ene-1-sulfonic acid.
What is the SMILES notation for 2-methoxyprop-2-ene-1-sulfonic acid?
The canonical SMILES for 2-methoxyprop-2-ene-1-sulfonic acid is C=C(CS(=O)(=O)O)OC.
What is the InChIKey of 2-methoxyprop-2-ene-1-sulfonic acid?
The InChIKey is BJFZEKIDYDHVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-4(8-2)3-9(5,6)7/h1,3H2,2H3,(H,5,6,7).
What are the key properties of 2-methoxyprop-2-ene-1-sulfonic acid?
2-methoxyprop-2-ene-1-sulfonic acid has a molecular weight of 152.17 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 175208097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).