2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene

C24H34S2 — CID 14400702

IUPAC2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(SSc2cc(C(C)C)ccc2C(C)C)c1
InChIInChI=1S/C24H34S2/c1-15(2)19-9-11-21(17(5)6)23(13-19)25-26-24-14-20(16(3)4)10-12-22(24)18(7)8/h9-18H,1-8H3
InChIKeyZNWAGDOHZWNZQM-UHFFFAOYSA-N
MW386.67 g/mol
LogP8.98
Rot. Bonds7

About 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene

2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene (PubChem CID 14400702) has the molecular formula C24H34S2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene
PubChem CID14400702
Molecular FormulaC24H34S2
Molecular Weight386.67 g/mol
Exact Mass386.21
IUPAC Name2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(SSc2cc(C(C)C)ccc2C(C)C)c1
InChIInChI=1S/C24H34S2/c1-15(2)19-9-11-21(17(5)6)23(13-19)25-26-24-14-20(16(3)4)10-12-22(24)18(7)8/h9-18H,1-8H3
InChIKeyZNWAGDOHZWNZQM-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 58.98
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

Bis(2-methylphenyl) disulfide
CID 77652
2-Methyl-5-tert-butylthiophenol
CID 596868
Bis(2,6-xylyl) disulfide
CID 76186
Bis(4-tert-butylphenyl) disulfide
CID 292755
Disulfide, bis(3,5-dimethylphenyl)
CID 103279
Bis(2,4,6-triisopropylphenyl) disulfide
CID 10917683
Disulfide, bis(dodecylphenyl)
CID 120114
Bis-(m-tolyl)disulfide
CID 10999352
Bis(2,5-xylyl) disulfide
CID 77420
Bis(2,3-xylyl) disulfide
CID 91969
Bis(2,4-xylyl) disulfide
CID 83618
Disulfide, bis(o-ethylphenyl)
CID 6452015

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene?
The IUPAC name of 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene (CID 14400702) is 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene?
The canonical SMILES for 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(C)C)c(SSc2cc(C(C)C)ccc2C(C)C)c1.
What is the InChIKey of 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene?
The InChIKey is ZNWAGDOHZWNZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S2/c1-15(2)19-9-11-21(17(5)6)23(13-19)25-26-24-14-20(16(3)4)10-12-22(24)18(7)8/h9-18H,1-8H3.
What are the key properties of 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene?
2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene has a molecular weight of 386.67 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-di(propan-2-yl)phenyl]disulfanyl]-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 14400702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).