1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane

C11H20S3 — CID 56605964

IUPAC1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane
SMILESC=CCSCC=CSSCCCCC
InChIInChI=1S/C11H20S3/c1-3-5-6-10-13-14-11-7-9-12-8-4-2/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKeyXBOBFGDGYNKHME-UHFFFAOYSA-N
MW248.48 g/mol
LogP4.99
Rot. Bonds10

About 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane

1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane (PubChem CID 56605964) has the molecular formula C11H20S3 and a molecular weight of 248.48 g/mol. Its IUPAC name is 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane.

Molecular Properties

Compound Name1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane
PubChem CID56605964
Molecular FormulaC11H20S3
Molecular Weight248.48 g/mol
Exact Mass248.07
IUPAC Name1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane
SMILESC=CCSCC=CSSCCCCC
InChIInChI=1S/C11H20S3/c1-3-5-6-10-13-14-11-7-9-12-8-4-2/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKeyXBOBFGDGYNKHME-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.48
LogP ≤ 54.99
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane?
The IUPAC name of 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane (CID 56605964) is 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane.
What is the SMILES notation for 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane?
The canonical SMILES for 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane is C=CCSCC=CSSCCCCC.
What is the InChIKey of 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane?
The InChIKey is XBOBFGDGYNKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S3/c1-3-5-6-10-13-14-11-7-9-12-8-4-2/h4,7,11H,2-3,5-6,8-10H2,1H3.
What are the key properties of 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane?
1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane has a molecular weight of 248.48 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)pentane is sourced from PubChem (CID 56605964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).