2-(methyldisulfanyl)hexane

C7H16S2 — CID 118070757

IUPAC2-(methyldisulfanyl)hexane
SMILESCCCCC(C)SSC
InChIInChI=1S/C7H16S2/c1-4-5-6-7(2)9-8-3/h7H,4-6H2,1-3H3
InChIKeyJLBLMEAGPCNLJL-UHFFFAOYSA-N
MW164.34 g/mol
LogP3.58
Rot. Bonds5

About 2-(methyldisulfanyl)hexane

2-(methyldisulfanyl)hexane (PubChem CID 118070757) has the molecular formula C7H16S2 and a molecular weight of 164.34 g/mol. Its IUPAC name is 2-(methyldisulfanyl)hexane.

Molecular Properties

Compound Name2-(methyldisulfanyl)hexane
PubChem CID118070757
Molecular FormulaC7H16S2
Molecular Weight164.34 g/mol
Exact Mass164.07
IUPAC Name2-(methyldisulfanyl)hexane
SMILESCCCCC(C)SSC
InChIInChI=1S/C7H16S2/c1-4-5-6-7(2)9-8-3/h7H,4-6H2,1-3H3
InChIKeyJLBLMEAGPCNLJL-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methyldisulfanyl)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(octan-2-yldisulfanyl)octane
CID 5120252
2-methyl-6-(methyldisulfanyl)heptanoic acid
CID 87428440
triethyl(hexan-2-yl)azanium
CID 88691011
2-(2-methylbutan-2-yldisulfanyl)heptane
CID 118070747
tributyl(methyl)phosphanium
CID 2760115
hexan-2-ylsulfanylformic acid
CID 139771478
hexane;tris((methyldisulfanyl)methane)
CID 162088093
2-diaminophosphinothioylsulfanylhexane
CID 56627428
2-methylhexane;propane
CID 143695748
dibutyl-ethyl-methylphosphanium
CID 58444360
2-methylhexane;dihydrate
CID 155319003
tributyl(methyl)phosphanium iodide
CID 2760114

Frequently Asked Questions

What is the IUPAC name of 2-(methyldisulfanyl)hexane?
The IUPAC name of 2-(methyldisulfanyl)hexane (CID 118070757) is 2-(methyldisulfanyl)hexane.
What is the SMILES notation for 2-(methyldisulfanyl)hexane?
The canonical SMILES for 2-(methyldisulfanyl)hexane is CCCCC(C)SSC.
What is the InChIKey of 2-(methyldisulfanyl)hexane?
The InChIKey is JLBLMEAGPCNLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2/c1-4-5-6-7(2)9-8-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(methyldisulfanyl)hexane?
2-(methyldisulfanyl)hexane has a molecular weight of 164.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyldisulfanyl)hexane is sourced from PubChem (CID 118070757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).