3-prop-2-enoxyprop-1-ene-2-sulfinic acid

C6H10O3S — CID 143086703

IUPAC3-prop-2-enoxyprop-1-ene-2-sulfinic acid
SMILESC=CCOCC(=C)S(=O)O
InChIInChI=1S/C6H10O3S/c1-3-4-9-5-6(2)10(7)8/h3H,1-2,4-5H2,(H,7,8)
InChIKeyTVPZEYBHEZBGBS-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.92
Rot. Bonds5

About 3-prop-2-enoxyprop-1-ene-2-sulfinic acid

3-prop-2-enoxyprop-1-ene-2-sulfinic acid (PubChem CID 143086703) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-prop-2-enoxyprop-1-ene-2-sulfinic acid.

Molecular Properties

Compound Name3-prop-2-enoxyprop-1-ene-2-sulfinic acid
PubChem CID143086703
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name3-prop-2-enoxyprop-1-ene-2-sulfinic acid
SMILESC=CCOCC(=C)S(=O)O
InChIInChI=1S/C6H10O3S/c1-3-4-9-5-6(2)10(7)8/h3H,1-2,4-5H2,(H,7,8)
InChIKeyTVPZEYBHEZBGBS-UHFFFAOYSA-N
XLogP0.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enoxyprop-1-ene-2-sulfinic 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-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592
2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
2-prop-2-enoxyacetate
CID 19028340
(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
CID 102121537
N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
CID 163423904
nitrous acid;2-(prop-2-enoxymethyl)prop-2-enoic acid
CID 174681541
CID 87625662
CID 87625662
Potassium allyloxide
CID 87828396
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol
CID 88611425

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyprop-1-ene-2-sulfinic acid?
The IUPAC name of 3-prop-2-enoxyprop-1-ene-2-sulfinic acid (CID 143086703) is 3-prop-2-enoxyprop-1-ene-2-sulfinic acid.
What is the SMILES notation for 3-prop-2-enoxyprop-1-ene-2-sulfinic acid?
The canonical SMILES for 3-prop-2-enoxyprop-1-ene-2-sulfinic acid is C=CCOCC(=C)S(=O)O.
What is the InChIKey of 3-prop-2-enoxyprop-1-ene-2-sulfinic acid?
The InChIKey is TVPZEYBHEZBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-4-9-5-6(2)10(7)8/h3H,1-2,4-5H2,(H,7,8).
What are the key properties of 3-prop-2-enoxyprop-1-ene-2-sulfinic acid?
3-prop-2-enoxyprop-1-ene-2-sulfinic acid has a molecular weight of 162.21 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyprop-1-ene-2-sulfinic acid is sourced from PubChem (CID 143086703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).