2-(4-bromophenyl)sulfanylphenol

C12H9BrOS — CID 102267343

IUPAC2-(4-bromophenyl)sulfanylphenol
SMILESOc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C12H9BrOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,14H
InChIKeyPQOVTHQJVDUCID-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.31
Rot. Bonds2

About 2-(4-bromophenyl)sulfanylphenol

2-(4-bromophenyl)sulfanylphenol (PubChem CID 102267343) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylphenol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylphenol
PubChem CID102267343
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name2-(4-bromophenyl)sulfanylphenol
SMILESOc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C12H9BrOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,14H
InChIKeyPQOVTHQJVDUCID-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanylphenol?
The IUPAC name of 2-(4-bromophenyl)sulfanylphenol (CID 102267343) is 2-(4-bromophenyl)sulfanylphenol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylphenol?
The canonical SMILES for 2-(4-bromophenyl)sulfanylphenol is Oc1ccccc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanylphenol?
The InChIKey is PQOVTHQJVDUCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,14H.
What are the key properties of 2-(4-bromophenyl)sulfanylphenol?
2-(4-bromophenyl)sulfanylphenol has a molecular weight of 281.17 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylphenol is sourced from PubChem (CID 102267343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).