1-(ethyldisulfanyl)-1-ethylsulfanylethane

C6H14S3 — CID 15109870

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

About 1-(ethyldisulfanyl)-1-ethylsulfanylethane

1-(ethyldisulfanyl)-1-ethylsulfanylethane (PubChem CID 15109870) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1-ethylsulfanylethane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1-ethylsulfanylethane
PubChem CID15109870
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Name1-(ethyldisulfanyl)-1-ethylsulfanylethane
SMILESCCSSC(C)SCC
InChIInChI=1S/C6H14S3/c1-4-7-6(3)9-8-5-2/h6H,4-5H2,1-3H3
InChIKeyWTPKMZOVHXHDKV-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-ethylsulfanylethane?
The IUPAC name of 1-(ethyldisulfanyl)-1-ethylsulfanylethane (CID 15109870) is 1-(ethyldisulfanyl)-1-ethylsulfanylethane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1-ethylsulfanylethane?
The canonical SMILES for 1-(ethyldisulfanyl)-1-ethylsulfanylethane is CCSSC(C)SCC.
What is the InChIKey of 1-(ethyldisulfanyl)-1-ethylsulfanylethane?
The InChIKey is WTPKMZOVHXHDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c1-4-7-6(3)9-8-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-(ethyldisulfanyl)-1-ethylsulfanylethane?
1-(ethyldisulfanyl)-1-ethylsulfanylethane 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-ethylsulfanylethane is sourced from PubChem (CID 15109870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).