4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile

C14H11NOS — CID 19931724

IUPAC4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSc2ccccc2O)cc1
InChIInChI=1S/C14H11NOS/c15-9-11-5-7-12(8-6-11)10-17-14-4-2-1-3-13(14)16/h1-8,16H,10H2
InChIKeyAQTYSNBLKRWXRS-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.56
Rot. Bonds3

About 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile

4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (PubChem CID 19931724) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
PubChem CID19931724
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSc2ccccc2O)cc1
InChIInChI=1S/C14H11NOS/c15-9-11-5-7-12(8-6-11)10-17-14-4-2-1-3-13(14)16/h1-8,16H,10H2
InChIKeyAQTYSNBLKRWXRS-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-[(2-aminophenyl)sulfanylmethyl]benzonitrile
CID 4770809
N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 26533303
2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 103758898
2-[(4-cyanophenyl)methylsulfanyl]-N-propylbenzamide
CID 30878901
4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 47262874
N-(2-acetamidoethyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 78772625
N-(4-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112759144
4-[[(4-cyanophenyl)methyldisulfanyl]methyl]benzonitrile
CID 11044672
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(diethylamino)ethyl]benzamide
CID 112759750
4-(pyridin-2-ylsulfanylmethyl)benzonitrile
CID 4301223
4-[[(2R,3S)-4-[(4-cyanophenyl)methylsulfanyl]-2,3-dihydroxybutyl]sulfanylmethyl]benzonitrile
CID 42558413
4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 64765962

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The IUPAC name of 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile (CID 19931724) is 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is N#Cc1ccc(CSc2ccccc2O)cc1.
What is the InChIKey of 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
The InChIKey is AQTYSNBLKRWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c15-9-11-5-7-12(8-6-11)10-17-14-4-2-1-3-13(14)16/h1-8,16H,10H2.
What are the key properties of 4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile?
4-[(2-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-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 19931724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).