1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene

C9H18OS3 — CID 90984130

IUPAC1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene
SMILESCC=C(SSCCC)S(=O)CCC
InChIInChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h6H,4-5,7-8H2,1-3H3
InChIKeyRUDYNHFIFHDNAE-UHFFFAOYSA-N
MW238.44 g/mol
LogP3.80
Rot. Bonds7

About 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene

1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene (PubChem CID 90984130) has the molecular formula C9H18OS3 and a molecular weight of 238.44 g/mol. Its IUPAC name is 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene.

Molecular Properties

Compound Name1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene
PubChem CID90984130
Molecular FormulaC9H18OS3
Molecular Weight238.44 g/mol
Exact Mass238.05
IUPAC Name1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene
SMILESCC=C(SSCCC)S(=O)CCC
InChIInChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h6H,4-5,7-8H2,1-3H3
InChIKeyRUDYNHFIFHDNAE-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene 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

1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene
CID 90904373
2-(propyldisulfanyl)but-2-ene
CID 154126940
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
1-prop-1-enylsulfinylsulfanylpropane
CID 76706473
2-propylsulfinylbut-2-enedinitrile
CID 123498747
1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane
CID 12636145
2-(propyldisulfanyl)ethanol
CID 11977395
zinc;hydrogen phosphate;1-(propyldisulfanyl)propane
CID 174694576
1-(propylheptasulfanyl)propane
CID 14123249
1-(methyldisulfanyl)propane
CID 16592
4-(propyldisulfanyl)butanal
CID 123666253
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892

Frequently Asked Questions

What is the IUPAC name of 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene?
The IUPAC name of 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene (CID 90984130) is 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene.
What is the SMILES notation for 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene?
The canonical SMILES for 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene is CC=C(SSCCC)S(=O)CCC.
What is the InChIKey of 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene?
The InChIKey is RUDYNHFIFHDNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene?
1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene has a molecular weight of 238.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propyldisulfanyl)-1-propylsulfinylprop-1-ene is sourced from PubChem (CID 90984130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).