3-methoxyprop-1-ene-1-sulfonic acid

C4H8O4S — CID 154493989

IUPAC3-methoxyprop-1-ene-1-sulfonic acid
SMILESCOCC=CS(=O)(=O)O
InChIInChI=1S/C4H8O4S/c1-8-3-2-4-9(5,6)7/h2,4H,3H2,1H3,(H,5,6,7)
InChIKeyQFUQFOJAYULQDV-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.03
Rot. Bonds3

About 3-methoxyprop-1-ene-1-sulfonic acid

3-methoxyprop-1-ene-1-sulfonic acid (PubChem CID 154493989) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-methoxyprop-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name3-methoxyprop-1-ene-1-sulfonic acid
PubChem CID154493989
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name3-methoxyprop-1-ene-1-sulfonic acid
SMILESCOCC=CS(=O)(=O)O
InChIInChI=1S/C4H8O4S/c1-8-3-2-4-9(5,6)7/h2,4H,3H2,1H3,(H,5,6,7)
InChIKeyQFUQFOJAYULQDV-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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-1-ethylsulfonyl-3-methoxyprop-1-ene
CID 99990264
(E)-3-aminoprop-1-ene-1-sulfonic acid
CID 87091905
4-methoxybut-2-enoyl chloride
CID 54429402
2-methoxyacetaldehyde;zinc
CID 57446911
(Z)-prop-1-ene-1-sulfonic acid
CID 59687204
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
lithium;hydride;tetradec-1-ene-1-sulfonic acid
CID 173398545
sodium;hydride;oct-1-ene-1-sulfonic acid
CID 173113775
1-methoxypent-2-ene
CID 551185
2-propoxyethenesulfonic acid
CID 76548154
[(E)-3-methylsulfonylprop-2-enyl] carbamate
CID 175360018
1,4-dimethoxy-2-methylsulfonylbut-2-ene
CID 54174822

Frequently Asked Questions

What is the IUPAC name of 3-methoxyprop-1-ene-1-sulfonic acid?
The IUPAC name of 3-methoxyprop-1-ene-1-sulfonic acid (CID 154493989) is 3-methoxyprop-1-ene-1-sulfonic acid.
What is the SMILES notation for 3-methoxyprop-1-ene-1-sulfonic acid?
The canonical SMILES for 3-methoxyprop-1-ene-1-sulfonic acid is COCC=CS(=O)(=O)O.
What is the InChIKey of 3-methoxyprop-1-ene-1-sulfonic acid?
The InChIKey is QFUQFOJAYULQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-8-3-2-4-9(5,6)7/h2,4H,3H2,1H3,(H,5,6,7).
What are the key properties of 3-methoxyprop-1-ene-1-sulfonic acid?
3-methoxyprop-1-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 3-methoxyprop-1-ene-1-sulfonic acid is sourced from PubChem (CID 154493989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).