4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile

C14H11NOS — CID 47262874

IUPAC4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSc2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NOS/c15-9-11-1-3-12(4-2-11)10-17-14-7-5-13(16)6-8-14/h1-8,16H,10H2
InChIKeyUYDIKNOKOYEETI-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.56
Rot. Bonds3

About 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile

4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile (PubChem CID 47262874) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
PubChem CID47262874
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSc2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NOS/c15-9-11-1-3-12(4-2-11)10-17-14-7-5-13(16)6-8-14/h1-8,16H,10H2
InChIKeyUYDIKNOKOYEETI-UHFFFAOYSA-N
XLogP3.56
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylphenyl)sulfanylmethyl]benzonitrile
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4-hydroxybenzonitrile
CID 53435365
4-[(3,4-difluorophenyl)sulfanylmethyl]benzonitrile
CID 43236041
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 19931724
4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol
CID 88915543
4-[[(4-cyanophenyl)methyldisulfanyl]methyl]benzonitrile
CID 11044672
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
4-hydroxysulfanylbenzonitrile
CID 67172799
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-[(3-chlorophenyl)sulfanylmethyl]benzonitrile
CID 62646634
4-[(5-bromothiophen-3-yl)methylsulfanyl]benzonitrile
CID 78902887

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The IUPAC name of 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile (CID 47262874) is 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile is N#Cc1ccc(CSc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The InChIKey is UYDIKNOKOYEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c15-9-11-1-3-12(4-2-11)10-17-14-7-5-13(16)6-8-14/h1-8,16H,10H2.
What are the key properties of 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile?
4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile has a molecular weight of 241.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 47262874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).