1-(ethyldisulfanyl)-1-methylsulfanylpropane

C6H14S3 — CID 6429019

IUPAC1-(ethyldisulfanyl)-1-methylsulfanylpropane
SMILESCCSSC(CC)SC
InChIInChI=1S/C6H14S3/c1-4-6(7-3)9-8-5-2/h6H,4-5H2,1-3H3
InChIKeyYPJBMNWGGROJKJ-UHFFFAOYSA-N
MW182.38 g/mol
LogP3.49
Rot. Bonds5

About 1-(ethyldisulfanyl)-1-methylsulfanylpropane

1-(ethyldisulfanyl)-1-methylsulfanylpropane (PubChem CID 6429019) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1-methylsulfanylpropane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1-methylsulfanylpropane
PubChem CID6429019
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Name1-(ethyldisulfanyl)-1-methylsulfanylpropane
SMILESCCSSC(CC)SC
InChIInChI=1S/C6H14S3/c1-4-6(7-3)9-8-5-2/h6H,4-5H2,1-3H3
InChIKeyYPJBMNWGGROJKJ-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 53.49
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-(ethyldisulfanyl)-1-methylsulfanylpropane?
The IUPAC name of 1-(ethyldisulfanyl)-1-methylsulfanylpropane (CID 6429019) is 1-(ethyldisulfanyl)-1-methylsulfanylpropane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1-methylsulfanylpropane?
The canonical SMILES for 1-(ethyldisulfanyl)-1-methylsulfanylpropane is CCSSC(CC)SC.
What is the InChIKey of 1-(ethyldisulfanyl)-1-methylsulfanylpropane?
The InChIKey is YPJBMNWGGROJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c1-4-6(7-3)9-8-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-(ethyldisulfanyl)-1-methylsulfanylpropane?
1-(ethyldisulfanyl)-1-methylsulfanylpropane has a molecular weight of 182.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1-methylsulfanylpropane is sourced from PubChem (CID 6429019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).