1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene

C12H22O2S4 — CID 90904373

IUPAC1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene
SMILESCC=C(SSC(=CC)S(=O)CCC)S(=O)CCC
InChIInChI=1S/C12H22O2S4/c1-5-9-17(13)11(7-3)15-16-12(8-4)18(14)10-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyRUQUXBBZCJSZLH-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.41
Rot. Bonds9

About 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene

1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene (PubChem CID 90904373) has the molecular formula C12H22O2S4 and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene
PubChem CID90904373
Molecular FormulaC12H22O2S4
Molecular Weight326.57 g/mol
Exact Mass326.05
IUPAC Name1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene
SMILESCC=C(SSC(=CC)S(=O)CCC)S(=O)CCC
InChIInChI=1S/C12H22O2S4/c1-5-9-17(13)11(7-3)15-16-12(8-4)18(14)10-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyRUQUXBBZCJSZLH-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-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-(propyldisulfanyl)-1-propylsulfinylprop-1-ene
CID 90984130
2-propylsulfinylbut-2-enedinitrile
CID 123498747
platinum(2+);bis(1-propylsulfinylpropane);dichloride
CID 3082519
azanylidyne-oxo-propyl-λ6-sulfane
CID 90138662
N-(2-aminoethyl)propane-1-sulfinamide
CID 131182462
piperidin-1-yl(propylsulfinyl)methanone
CID 163841053
3-[(R)-propylsulfinyl]propan-1-amine
CID 88509307
3-propylsulfinylpropan-1-amine
CID 58684721
1-propylsulfinylbutane
CID 564183
3-propylsulfinylbutan-2-one
CID 64638271
ethanol;sulfur trioxide
CID 88617255
7-pentylsulfinyltridec-7-en-6-one
CID 173094278

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene?
The IUPAC name of 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene (CID 90904373) is 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene?
The canonical SMILES for 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene is CC=C(SSC(=CC)S(=O)CCC)S(=O)CCC.
What is the InChIKey of 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene?
The InChIKey is RUQUXBBZCJSZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S4/c1-5-9-17(13)11(7-3)15-16-12(8-4)18(14)10-6-2/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene?
1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene has a molecular weight of 326.57 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 90904373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).