2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile

C19H11Cl2NS2 — CID 10249651

IUPAC2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
SMILESN#Cc1c(Sc2ccccc2Cl)cccc1Sc1ccccc1Cl
InChIInChI=1S/C19H11Cl2NS2/c20-14-6-1-3-8-18(14)23-16-10-5-11-17(13(16)12-22)24-19-9-4-2-7-15(19)21/h1-11H
InChIKeyHOENCEUZOCDUPY-UHFFFAOYSA-N
MW388.34 g/mol
LogP7.17
Rot. Bonds4

About 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile

2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile (PubChem CID 10249651) has the molecular formula C19H11Cl2NS2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
PubChem CID10249651
Molecular FormulaC19H11Cl2NS2
Molecular Weight388.34 g/mol
Exact Mass386.97
IUPAC Name2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
SMILESN#Cc1c(Sc2ccccc2Cl)cccc1Sc1ccccc1Cl
InChIInChI=1S/C19H11Cl2NS2/c20-14-6-1-3-8-18(14)23-16-10-5-11-17(13(16)12-22)24-19-9-4-2-7-15(19)21/h1-11H
InChIKeyHOENCEUZOCDUPY-UHFFFAOYSA-N
XLogP7.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,6-bis(phenylsulfanyl)benzonitrile
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2-bromo-6-(2-bromophenyl)sulfanylbenzonitrile
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2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzonitrile
CID 107770602
5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbonitrile
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2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile?
The IUPAC name of 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile (CID 10249651) is 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile.
What is the SMILES notation for 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile?
The canonical SMILES for 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile is N#Cc1c(Sc2ccccc2Cl)cccc1Sc1ccccc1Cl.
What is the InChIKey of 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile?
The InChIKey is HOENCEUZOCDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NS2/c20-14-6-1-3-8-18(14)23-16-10-5-11-17(13(16)12-22)24-19-9-4-2-7-15(19)21/h1-11H.
What are the key properties of 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile?
2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile has a molecular weight of 388.34 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile is sourced from PubChem (CID 10249651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).