2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol

C14H12Br2O2S2 — CID 10717762

IUPAC2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol
SMILESCSc1cc(-c2cc(Br)c(O)c(SC)c2)cc(Br)c1O
InChIInChI=1S/C14H12Br2O2S2/c1-19-11-5-7(3-9(15)13(11)17)8-4-10(16)14(18)12(6-8)20-2/h3-6,17-18H,1-2H3
InChIKeyZNIZJDVVTGJTQU-UHFFFAOYSA-N
MW436.19 g/mol
LogP5.73
Rot. Bonds3

About 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol

2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol (PubChem CID 10717762) has the molecular formula C14H12Br2O2S2 and a molecular weight of 436.19 g/mol. Its IUPAC name is 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol.

Molecular Properties

Compound Name2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol
PubChem CID10717762
Molecular FormulaC14H12Br2O2S2
Molecular Weight436.19 g/mol
Exact Mass433.86
IUPAC Name2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol
SMILESCSc1cc(-c2cc(Br)c(O)c(SC)c2)cc(Br)c1O
InChIInChI=1S/C14H12Br2O2S2/c1-19-11-5-7(3-9(15)13(11)17)8-4-10(16)14(18)12(6-8)20-2/h3-6,17-18H,1-2H3
InChIKeyZNIZJDVVTGJTQU-UHFFFAOYSA-N
XLogP5.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.19
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol?
The IUPAC name of 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol (CID 10717762) is 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol.
What is the SMILES notation for 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol?
The canonical SMILES for 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol is CSc1cc(-c2cc(Br)c(O)c(SC)c2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol?
The InChIKey is ZNIZJDVVTGJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2S2/c1-19-11-5-7(3-9(15)13(11)17)8-4-10(16)14(18)12(6-8)20-2/h3-6,17-18H,1-2H3.
What are the key properties of 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol?
2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol has a molecular weight of 436.19 g/mol, XLogP of 5.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromo-4-hydroxy-5-methylsulfanylphenyl)-6-methylsulfanylphenol is sourced from PubChem (CID 10717762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).