1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane

C9H16OS3 — CID 73094851

IUPAC1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane
SMILESCC=CSSC(CC)S(=O)C=CC
InChIInChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7-9H,6H2,1-3H3
InChIKeyODTGLDLGRKWIAI-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.92
Rot. Bonds6

About 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane

1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane (PubChem CID 73094851) has the molecular formula C9H16OS3 and a molecular weight of 236.43 g/mol. Its IUPAC name is 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane.

Molecular Properties

Compound Name1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane
PubChem CID73094851
Molecular FormulaC9H16OS3
Molecular Weight236.43 g/mol
Exact Mass236.04
IUPAC Name1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane
SMILESCC=CSSC(CC)S(=O)C=CC
InChIInChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7-9H,6H2,1-3H3
InChIKeyODTGLDLGRKWIAI-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane?
The IUPAC name of 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane (CID 73094851) is 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane.
What is the SMILES notation for 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane?
The canonical SMILES for 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane is CC=CSSC(CC)S(=O)C=CC.
What is the InChIKey of 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane?
The InChIKey is ODTGLDLGRKWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane?
1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane has a molecular weight of 236.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfinylpropane is sourced from PubChem (CID 73094851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).