1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane

C7H14S3 — CID 528852

IUPAC1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane
SMILESCC=CSC(CC)SSC
InChIInChI=1S/C7H14S3/c1-4-6-9-7(5-2)10-8-3/h4,6-7H,5H2,1-3H3
InChIKeyMLJHEPZOIZWECP-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.00
Rot. Bonds5

About 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane

1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane (PubChem CID 528852) has the molecular formula C7H14S3 and a molecular weight of 194.39 g/mol. Its IUPAC name is 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane.

Molecular Properties

Compound Name1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane
PubChem CID528852
Molecular FormulaC7H14S3
Molecular Weight194.39 g/mol
Exact Mass194.03
IUPAC Name1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane
SMILESCC=CSC(CC)SSC
InChIInChI=1S/C7H14S3/c1-4-6-9-7(5-2)10-8-3/h4,6-7H,5H2,1-3H3
InChIKeyMLJHEPZOIZWECP-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane?
The IUPAC name of 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane (CID 528852) is 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane.
What is the SMILES notation for 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane?
The canonical SMILES for 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane is CC=CSC(CC)SSC.
What is the InChIKey of 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane?
The InChIKey is MLJHEPZOIZWECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S3/c1-4-6-9-7(5-2)10-8-3/h4,6-7H,5H2,1-3H3.
What are the key properties of 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane?
1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane has a molecular weight of 194.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)-1-prop-1-enylsulfanylpropane is sourced from PubChem (CID 528852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).