hexane;tris((methyldisulfanyl)methane)

C12H32S6 — CID 162088093

IUPAChexane;tris((methyldisulfanyl)methane)
SMILESCCCCCC.CSSC.CSSC.CSSC
InChIInChI=1S/C6H14.3C2H6S2/c1-3-5-6-4-2;3*1-3-4-2/h3-6H2,1-2H3;3*1-2H3
InChIKeyZDFUOSIHLPOPDZ-UHFFFAOYSA-N
MW368.79 g/mol
LogP7.47
Rot. Bonds6

About hexane;tris((methyldisulfanyl)methane)

hexane;tris((methyldisulfanyl)methane) (PubChem CID 162088093) has the molecular formula C12H32S6 and a molecular weight of 368.79 g/mol. Its IUPAC name is hexane;tris((methyldisulfanyl)methane).

Molecular Properties

Compound Namehexane;tris((methyldisulfanyl)methane)
PubChem CID162088093
Molecular FormulaC12H32S6
Molecular Weight368.79 g/mol
Exact Mass368.08
IUPAC Namehexane;tris((methyldisulfanyl)methane)
SMILESCCCCCC.CSSC.CSSC.CSSC
InChIInChI=1S/C6H14.3C2H6S2/c1-3-5-6-4-2;3*1-3-4-2/h3-6H2,1-2H3;3*1-2H3
InChIKeyZDFUOSIHLPOPDZ-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.79
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

hexane;methylsulfanylmethane
CID 161474362
butylphosphanium fluoride
CID 122641370
butylphosphanium;palladium
CID 173044196
hexane;tungsten
CID 162105258
azane;hexane
CID 18428977
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexane;molybdenum
CID 162092649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;tetrahydrate
CID 174107213
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of hexane;tris((methyldisulfanyl)methane)?
The IUPAC name of hexane;tris((methyldisulfanyl)methane) (CID 162088093) is hexane;tris((methyldisulfanyl)methane).
What is the SMILES notation for hexane;tris((methyldisulfanyl)methane)?
The canonical SMILES for hexane;tris((methyldisulfanyl)methane) is CCCCCC.CSSC.CSSC.CSSC.
What is the InChIKey of hexane;tris((methyldisulfanyl)methane)?
The InChIKey is ZDFUOSIHLPOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.3C2H6S2/c1-3-5-6-4-2;3*1-3-4-2/h3-6H2,1-2H3;3*1-2H3.
What are the key properties of hexane;tris((methyldisulfanyl)methane)?
hexane;tris((methyldisulfanyl)methane) has a molecular weight of 368.79 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;tris((methyldisulfanyl)methane) is sourced from PubChem (CID 162088093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).