[(hexyldisulfanyl)-diphenylmethyl]benzene

C25H28S2 — CID 56622231

IUPAC[(hexyldisulfanyl)-diphenylmethyl]benzene
SMILESCCCCCCSSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28S2/c1-2-3-4-14-21-26-27-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3
InChIKeyTXUBUOGVWFNCTO-UHFFFAOYSA-N
MW392.63 g/mol
LogP7.94
Rot. Bonds10

About [(hexyldisulfanyl)-diphenylmethyl]benzene

[(hexyldisulfanyl)-diphenylmethyl]benzene (PubChem CID 56622231) has the molecular formula C25H28S2 and a molecular weight of 392.63 g/mol. Its IUPAC name is [(hexyldisulfanyl)-diphenylmethyl]benzene.

Molecular Properties

Compound Name[(hexyldisulfanyl)-diphenylmethyl]benzene
PubChem CID56622231
Molecular FormulaC25H28S2
Molecular Weight392.63 g/mol
Exact Mass392.16
IUPAC Name[(hexyldisulfanyl)-diphenylmethyl]benzene
SMILESCCCCCCSSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28S2/c1-2-3-4-14-21-26-27-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3
InChIKeyTXUBUOGVWFNCTO-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 57.94
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-tritylsulfanyldodecan-6-amine
CID 23042213
(heptyldisulfanyl)methylbenzene
CID 141419061
tert-butylbenzene;hexane
CID 175254424
15-phenylnonacosan-15-ylbenzene
CID 141310981
[(4-hexylphenyl)-diphenylmethyl] thiohypochlorite
CID 22894487
N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine
CID 160845745
1,1-diphenyldodecan-1-amine
CID 19925745
nickel;octylsulfanylbenzene
CID 157277722
5-butylhexadecan-5-ylbenzene
CID 173084700
1,2-bis(tricosylsulfanyl)benzene
CID 91011021
1-(butyldisulfanyl)butane;toluene
CID 175234037
N-(3,3,3-triphenylpropyl)hexan-1-amine
CID 69396005

Frequently Asked Questions

What is the IUPAC name of [(hexyldisulfanyl)-diphenylmethyl]benzene?
The IUPAC name of [(hexyldisulfanyl)-diphenylmethyl]benzene (CID 56622231) is [(hexyldisulfanyl)-diphenylmethyl]benzene.
What is the SMILES notation for [(hexyldisulfanyl)-diphenylmethyl]benzene?
The canonical SMILES for [(hexyldisulfanyl)-diphenylmethyl]benzene is CCCCCCSSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(hexyldisulfanyl)-diphenylmethyl]benzene?
The InChIKey is TXUBUOGVWFNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28S2/c1-2-3-4-14-21-26-27-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3.
What are the key properties of [(hexyldisulfanyl)-diphenylmethyl]benzene?
[(hexyldisulfanyl)-diphenylmethyl]benzene has a molecular weight of 392.63 g/mol, XLogP of 7.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(hexyldisulfanyl)-diphenylmethyl]benzene is sourced from PubChem (CID 56622231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).