2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride

C8H22Cl2N2S2 — CID 28484

IUPAC2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride
SMILESC[NH+](C)CCSSCC[NH+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C8H20N2S2.2ClH/c1-9(2)5-7-11-12-8-6-10(3)4;;/h5-8H2,1-4H3;2*1H
InChIKeyOJNVDODUOWHJPK-UHFFFAOYSA-N
MW281.32 g/mol
LogP-7.34
Rot. Bonds7

About 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride

2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride (PubChem CID 28484) has the molecular formula C8H22Cl2N2S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride.

Molecular Properties

Compound Name2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride
PubChem CID28484
Molecular FormulaC8H22Cl2N2S2
Molecular Weight281.32 g/mol
Exact Mass280.06
IUPAC Name2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride
SMILESC[NH+](C)CCSSCC[NH+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C8H20N2S2.2ClH/c1-9(2)5-7-11-12-8-6-10(3)4;;/h5-8H2,1-4H3;2*1H
InChIKeyOJNVDODUOWHJPK-UHFFFAOYSA-N
XLogP-7.34
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-7.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride?
The IUPAC name of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride (CID 28484) is 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride.
What is the SMILES notation for 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride?
The canonical SMILES for 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride is C[NH+](C)CCSSCC[NH+](C)C.[Cl-].[Cl-].
What is the InChIKey of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride?
The InChIKey is OJNVDODUOWHJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S2.2ClH/c1-9(2)5-7-11-12-8-6-10(3)4;;/h5-8H2,1-4H3;2*1H.
What are the key properties of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride?
2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride has a molecular weight of 281.32 g/mol, XLogP of -7.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium dichloride is sourced from PubChem (CID 28484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).