4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene

C14H12Br2S2 — CID 90249045

IUPAC4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene
SMILESCc1ccc(Br)cc1SSc1cc(Br)ccc1C
InChIInChI=1S/C14H12Br2S2/c1-9-3-5-11(15)7-13(9)17-18-14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChIKeyVAGQYHJIERXFDI-UHFFFAOYSA-N
MW404.19 g/mol
LogP6.63
Rot. Bonds3

About 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene

4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene (PubChem CID 90249045) has the molecular formula C14H12Br2S2 and a molecular weight of 404.19 g/mol. Its IUPAC name is 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene
PubChem CID90249045
Molecular FormulaC14H12Br2S2
Molecular Weight404.19 g/mol
Exact Mass401.87
IUPAC Name4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene
SMILESCc1ccc(Br)cc1SSc1cc(Br)ccc1C
InChIInChI=1S/C14H12Br2S2/c1-9-3-5-11(15)7-13(9)17-18-14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChIKeyVAGQYHJIERXFDI-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.19
LogP ≤ 56.63
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

1-Bromo-4-[[(4-bromophenyl)methyltrisulfanyl]methyl]benzene
CID 44416192
5-Bromo-2-methylbenzene-1-thiol
CID 19018166
1-Bromo-4-[[(4-bromophenyl)methyldisulfanyl]methyl]benzene
CID 11079957
1,1'-Disulfanediylbis(3-bromobenzene)
CID 15934168
1-Bromo-4-[2-(2-methylsulfanylphenyl)ethynyl]benzene
CID 151066515
[5-Bromo-2-(bromomethyl)phenyl] thiohypofluorite
CID 145206756
2-(4-Bromo-2-fluorophenyl)benzenethiol
CID 175601829
2-(4-Bromo-3-fluorophenyl)benzenethiol
CID 175602088
5-Bromo-2-(2-fluorophenyl)benzenethiol
CID 175608802
1-Bromo-2-[(4-methylphenyl)disulfanyl]benzene
CID 10267443
Benzyl 4-bromobenzyl disulfide
CID 85777258
Di(2,6-dibromo-p-tolyl) disulfide
CID 129811369

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene?
The IUPAC name of 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene (CID 90249045) is 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene?
The canonical SMILES for 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene is Cc1ccc(Br)cc1SSc1cc(Br)ccc1C.
What is the InChIKey of 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene?
The InChIKey is VAGQYHJIERXFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2S2/c1-9-3-5-11(15)7-13(9)17-18-14-8-12(16)6-4-10(14)2/h3-8H,1-2H3.
What are the key properties of 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene?
4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene has a molecular weight of 404.19 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-bromo-2-methylphenyl)disulfanyl]-1-methylbenzene is sourced from PubChem (CID 90249045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).