1-(ethyldisulfanyl)-1-ethylsulfanylpropane

C7H16S3 — CID 101413778

IUPAC1-(ethyldisulfanyl)-1-ethylsulfanylpropane
SMILESCCSSC(CC)SCC
InChIInChI=1S/C7H16S3/c1-4-7(8-5-2)10-9-6-3/h7H,4-6H2,1-3H3
InChIKeyWWQMZZWQEKRNPT-UHFFFAOYSA-N
MW196.41 g/mol
LogP3.88
Rot. Bonds6

About 1-(ethyldisulfanyl)-1-ethylsulfanylpropane

1-(ethyldisulfanyl)-1-ethylsulfanylpropane (PubChem CID 101413778) has the molecular formula C7H16S3 and a molecular weight of 196.41 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1-ethylsulfanylpropane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1-ethylsulfanylpropane
PubChem CID101413778
Molecular FormulaC7H16S3
Molecular Weight196.41 g/mol
Exact Mass196.04
IUPAC Name1-(ethyldisulfanyl)-1-ethylsulfanylpropane
SMILESCCSSC(CC)SCC
InChIInChI=1S/C7H16S3/c1-4-7(8-5-2)10-9-6-3/h7H,4-6H2,1-3H3
InChIKeyWWQMZZWQEKRNPT-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 53.88
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-ethylsulfanylpropane?
The IUPAC name of 1-(ethyldisulfanyl)-1-ethylsulfanylpropane (CID 101413778) is 1-(ethyldisulfanyl)-1-ethylsulfanylpropane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1-ethylsulfanylpropane?
The canonical SMILES for 1-(ethyldisulfanyl)-1-ethylsulfanylpropane is CCSSC(CC)SCC.
What is the InChIKey of 1-(ethyldisulfanyl)-1-ethylsulfanylpropane?
The InChIKey is WWQMZZWQEKRNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S3/c1-4-7(8-5-2)10-9-6-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-(ethyldisulfanyl)-1-ethylsulfanylpropane?
1-(ethyldisulfanyl)-1-ethylsulfanylpropane has a molecular weight of 196.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1-ethylsulfanylpropane is sourced from PubChem (CID 101413778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).