4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile

C14H11NOS — CID 104590967

IUPAC4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
SMILESCc1cc(Sc2cccc(O)c2)ccc1C#N
InChIInChI=1S/C14H11NOS/c1-10-7-14(6-5-11(10)9-15)17-13-4-2-3-12(16)8-13/h2-8,16H,1H3
InChIKeyRLQIVWQBIOIJDX-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.72
Rot. Bonds2

About 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile

4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile (PubChem CID 104590967) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
PubChem CID104590967
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
SMILESCc1cc(Sc2cccc(O)c2)ccc1C#N
InChIInChI=1S/C14H11NOS/c1-10-7-14(6-5-11(10)9-15)17-13-4-2-3-12(16)8-13/h2-8,16H,1H3
InChIKeyRLQIVWQBIOIJDX-UHFFFAOYSA-N
XLogP3.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 104590955
3-(4-methylphenyl)sulfanylphenol
CID 20780501
4-(3,4-dichlorophenyl)sulfanyl-2-methylbenzonitrile
CID 81282287
2-methyl-4-methylsulfanylbenzonitrile
CID 59186105
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbenzonitrile
CID 81282620
4-(2-chlorophenyl)sulfanyl-2-methylbenzonitrile
CID 59604553
2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 104590981
2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
CID 104590924
2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzonitrile
CID 81282201
4-ethylsulfanyl-2-methylbenzonitrile
CID 66878285
4-(2,5-difluorophenyl)sulfanyl-2-methylbenzonitrile
CID 81282783
2-methyl-4-(1-methylimidazol-2-yl)sulfanylbenzonitrile
CID 81281637

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile?
The IUPAC name of 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile (CID 104590967) is 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile.
What is the SMILES notation for 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile?
The canonical SMILES for 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile is Cc1cc(Sc2cccc(O)c2)ccc1C#N.
What is the InChIKey of 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile?
The InChIKey is RLQIVWQBIOIJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-10-7-14(6-5-11(10)9-15)17-13-4-2-3-12(16)8-13/h2-8,16H,1H3.
What are the key properties of 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile?
4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile has a molecular weight of 241.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile is sourced from PubChem (CID 104590967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).