ethane;3-(ethyldisulfanyl)-2-methylpentane

C10H24S2 — CID 169267094

IUPACethane;3-(ethyldisulfanyl)-2-methylpentane
SMILESCC.CCSSC(CC)C(C)C
InChIInChI=1S/C8H18S2.C2H6/c1-5-8(7(3)4)10-9-6-2;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyMFKUIGDXHIBXAN-UHFFFAOYSA-N
MW208.44 g/mol
LogP4.85
Rot. Bonds5

About ethane;3-(ethyldisulfanyl)-2-methylpentane

ethane;3-(ethyldisulfanyl)-2-methylpentane (PubChem CID 169267094) has the molecular formula C10H24S2 and a molecular weight of 208.44 g/mol. Its IUPAC name is ethane;3-(ethyldisulfanyl)-2-methylpentane.

Molecular Properties

Compound Nameethane;3-(ethyldisulfanyl)-2-methylpentane
PubChem CID169267094
Molecular FormulaC10H24S2
Molecular Weight208.44 g/mol
Exact Mass208.13
IUPAC Nameethane;3-(ethyldisulfanyl)-2-methylpentane
SMILESCC.CCSSC(CC)C(C)C
InChIInChI=1S/C8H18S2.C2H6/c1-5-8(7(3)4)10-9-6-2;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyMFKUIGDXHIBXAN-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(ethyldisulfanyl)-3-methylbutane
CID 169266959
1-(ethyldisulfanyl)ethanamine
CID 89147377
1,1,1-trichloro-2-(ethyldisulfanyl)butane
CID 166842417
[1-(ethyldisulfanyl)-2-methylpropyl]benzene
CID 163281708
2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate
CID 155465292
(3S)-3-(ethyldisulfanyl)-1,1,1-trifluoropentane
CID 155048630
2,3-dimethylbutane;ethane;propane
CID 144519619
copper;(ethyldisulfanyl)ethane
CID 159600030
3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane
CID 141282649
2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane
CID 167244542
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
3-[(ethyldisulfanyl)methyl]pentane
CID 118227078

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethyldisulfanyl)-2-methylpentane?
The IUPAC name of ethane;3-(ethyldisulfanyl)-2-methylpentane (CID 169267094) is ethane;3-(ethyldisulfanyl)-2-methylpentane.
What is the SMILES notation for ethane;3-(ethyldisulfanyl)-2-methylpentane?
The canonical SMILES for ethane;3-(ethyldisulfanyl)-2-methylpentane is CC.CCSSC(CC)C(C)C.
What is the InChIKey of ethane;3-(ethyldisulfanyl)-2-methylpentane?
The InChIKey is MFKUIGDXHIBXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2.C2H6/c1-5-8(7(3)4)10-9-6-2;1-2/h7-8H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;3-(ethyldisulfanyl)-2-methylpentane?
ethane;3-(ethyldisulfanyl)-2-methylpentane has a molecular weight of 208.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethyldisulfanyl)-2-methylpentane is sourced from PubChem (CID 169267094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).