1-(butyldisulfanyl)butane;copper

C8H18CuS2 — CID 159977501

IUPAC1-(butyldisulfanyl)butane;copper
SMILESCCCCSSCCCC.[Cu]
InChIInChI=1S/C8H18S2.Cu/c1-3-5-7-9-10-8-6-4-2;/h3-8H2,1-2H3;
InChIKeyOFIOHPVSTRVRAS-UHFFFAOYSA-N
MW241.91 g/mol
LogP3.97
Rot. Bonds7

About 1-(butyldisulfanyl)butane;copper

1-(butyldisulfanyl)butane;copper (PubChem CID 159977501) has the molecular formula C8H18CuS2 and a molecular weight of 241.91 g/mol. Its IUPAC name is 1-(butyldisulfanyl)butane;copper.

Molecular Properties

Compound Name1-(butyldisulfanyl)butane;copper
PubChem CID159977501
Molecular FormulaC8H18CuS2
Molecular Weight241.91 g/mol
Exact Mass241.01
IUPAC Name1-(butyldisulfanyl)butane;copper
SMILESCCCCSSCCCC.[Cu]
InChIInChI=1S/C8H18S2.Cu/c1-3-5-7-9-10-8-6-4-2;/h3-8H2,1-2H3;
InChIKeyOFIOHPVSTRVRAS-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.91
LogP ≤ 53.97
H-Bond Donors ≤ 50
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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Related Compounds

1-(butyltrisulfanyl)octane
CID 141156696
3-(butyldisulfanyl)propyl-trimethoxysilane
CID 14765024
5-(butyldisulfanyl)pentanoic acid
CID 10331157
1-(butyldisulfanyl)butane;toluene
CID 175234037
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
1-butylsulfanyl-13-[2-[2-[9-(decyltrisulfanyl)nonyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]tridecane
CID 162484425
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374
1-(hydroxydisulfanyl)hexadecane
CID 87645981
1-(octadecylhexasulfanyl)octadecane
CID 54412885

Frequently Asked Questions

What is the IUPAC name of 1-(butyldisulfanyl)butane;copper?
The IUPAC name of 1-(butyldisulfanyl)butane;copper (CID 159977501) is 1-(butyldisulfanyl)butane;copper.
What is the SMILES notation for 1-(butyldisulfanyl)butane;copper?
The canonical SMILES for 1-(butyldisulfanyl)butane;copper is CCCCSSCCCC.[Cu].
What is the InChIKey of 1-(butyldisulfanyl)butane;copper?
The InChIKey is OFIOHPVSTRVRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2.Cu/c1-3-5-7-9-10-8-6-4-2;/h3-8H2,1-2H3;.
What are the key properties of 1-(butyldisulfanyl)butane;copper?
1-(butyldisulfanyl)butane;copper has a molecular weight of 241.91 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butyldisulfanyl)butane;copper is sourced from PubChem (CID 159977501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).