2-(4-bromophenyl)sulfanylbenzaldehyde

C13H9BrOS — CID 15132122

IUPAC2-(4-bromophenyl)sulfanylbenzaldehyde
SMILESO=Cc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C13H9BrOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKeyYYZHLDKFESQZOB-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-bromophenyl)sulfanylbenzaldehyde

2-(4-bromophenyl)sulfanylbenzaldehyde (PubChem CID 15132122) has the molecular formula C13H9BrOS and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylbenzaldehyde
PubChem CID15132122
Molecular FormulaC13H9BrOS
Molecular Weight293.19 g/mol
Exact Mass291.96
IUPAC Name2-(4-bromophenyl)sulfanylbenzaldehyde
SMILESO=Cc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C13H9BrOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKeyYYZHLDKFESQZOB-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-(4-bromophenyl)sulfanylbenzaldehyde (CID 15132122) is 2-(4-bromophenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-(4-bromophenyl)sulfanylbenzaldehyde is O=Cc1ccccc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanylbenzaldehyde?
The InChIKey is YYZHLDKFESQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H.
What are the key properties of 2-(4-bromophenyl)sulfanylbenzaldehyde?
2-(4-bromophenyl)sulfanylbenzaldehyde has a molecular weight of 293.19 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 15132122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).