2-(2-bromophenyl)sulfanylbenzonitrile

C13H8BrNS — CID 10913258

IUPAC2-(2-bromophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C13H8BrNS/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H
InChIKeyIYDVCCDKJLEDAJ-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.47
Rot. Bonds2

About 2-(2-bromophenyl)sulfanylbenzonitrile

2-(2-bromophenyl)sulfanylbenzonitrile (PubChem CID 10913258) has the molecular formula C13H8BrNS and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanylbenzonitrile
PubChem CID10913258
Molecular FormulaC13H8BrNS
Molecular Weight290.19 g/mol
Exact Mass288.96
IUPAC Name2-(2-bromophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C13H8BrNS/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H
InChIKeyIYDVCCDKJLEDAJ-UHFFFAOYSA-N
XLogP4.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanylbenzonitrile?
The IUPAC name of 2-(2-bromophenyl)sulfanylbenzonitrile (CID 10913258) is 2-(2-bromophenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-(2-bromophenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-(2-bromophenyl)sulfanylbenzonitrile is N#Cc1ccccc1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanylbenzonitrile?
The InChIKey is IYDVCCDKJLEDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNS/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H.
What are the key properties of 2-(2-bromophenyl)sulfanylbenzonitrile?
2-(2-bromophenyl)sulfanylbenzonitrile has a molecular weight of 290.19 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanylbenzonitrile is sourced from PubChem (CID 10913258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).