2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile

C13H8BrNOS — CID 91877633

IUPAC2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)ccc1Sc1ccc(Br)cc1
InChIInChI=1S/C13H8BrNOS/c14-10-1-4-12(5-2-10)17-13-6-3-11(16)7-9(13)8-15/h1-7,16H
InChIKeyQFTNNLSFHSHRLG-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.18
Rot. Bonds2

About 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile

2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile (PubChem CID 91877633) has the molecular formula C13H8BrNOS and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile
PubChem CID91877633
Molecular FormulaC13H8BrNOS
Molecular Weight306.18 g/mol
Exact Mass304.95
IUPAC Name2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)ccc1Sc1ccc(Br)cc1
InChIInChI=1S/C13H8BrNOS/c14-10-1-4-12(5-2-10)17-13-6-3-11(16)7-9(13)8-15/h1-7,16H
InChIKeyQFTNNLSFHSHRLG-UHFFFAOYSA-N
XLogP4.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(4-hydroxyphenyl)sulfanylbenzonitrile
CID 114906905
3-bromo-4-(4-bromophenyl)sulfanylphenol
CID 91877631
2-(4-bromophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile
CID 1489517
5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile
CID 91877618
2-bromo-3-fluoro-4-(4-hydroxyphenyl)sulfanylbenzonitrile
CID 107539547
5-(4-bromo-2-cyanophenyl)sulfanyl-2-methylbenzoic acid
CID 114892333
4-(4-bromo-2-methylphenyl)sulfanylphenol
CID 91877655
4-(4-hydroxy-2-methylphenyl)sulfanylbenzonitrile
CID 91879591
3-cyano-4-(4-cyanophenyl)sulfanylbenzoic acid
CID 91878249
4-(4-aminophenyl)sulfanylbenzene-1,3-dicarbonitrile
CID 91878310
4-(4-amino-2-cyanophenyl)sulfanylbenzoic acid
CID 91879996
4-(2-cyano-4-iodophenyl)sulfanylbenzoic acid
CID 91877878

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile (CID 91877633) is 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile is N#Cc1cc(O)ccc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile?
The InChIKey is QFTNNLSFHSHRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS/c14-10-1-4-12(5-2-10)17-13-6-3-11(16)7-9(13)8-15/h1-7,16H.
What are the key properties of 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile?
2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile has a molecular weight of 306.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile is sourced from PubChem (CID 91877633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).