2-(2,5-dichlorophenyl)sulfanylbenzonitrile

C13H7Cl2NS — CID 29273025

IUPAC2-(2,5-dichlorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2NS/c14-10-5-6-11(15)13(7-10)17-12-4-2-1-3-9(12)8-16/h1-7H
InChIKeyJTFZCTGJQMYTSE-UHFFFAOYSA-N
MW280.18 g/mol
LogP5.02
Rot. Bonds2

About 2-(2,5-dichlorophenyl)sulfanylbenzonitrile

2-(2,5-dichlorophenyl)sulfanylbenzonitrile (PubChem CID 29273025) has the molecular formula C13H7Cl2NS and a molecular weight of 280.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylbenzonitrile
PubChem CID29273025
Molecular FormulaC13H7Cl2NS
Molecular Weight280.18 g/mol
Exact Mass278.97
IUPAC Name2-(2,5-dichlorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2NS/c14-10-5-6-11(15)13(7-10)17-12-4-2-1-3-9(12)8-16/h1-7H
InChIKeyJTFZCTGJQMYTSE-UHFFFAOYSA-N
XLogP5.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.18
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
2-(2,5-dichlorophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile
CID 43331170
2-(2-aminophenyl)sulfanyl-4-chlorobenzonitrile
CID 63082288
4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzonitrile
CID 43657535
4-chloro-2-(2,4-dimethylphenyl)sulfanylbenzonitrile
CID 63538754
4-chloro-2-methylsulfanylbenzonitrile
CID 19076710
2-[3-(2,5-dichlorophenyl)sulfanylpropoxy]benzonitrile
CID 43289948
6-anilino-3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzene-1,2-dicarbonitrile
CID 150627080
4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile
CID 63538295
2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
CID 54920833
2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
CID 10249651
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylbenzonitrile?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylbenzonitrile (CID 29273025) is 2-(2,5-dichlorophenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylbenzonitrile is N#Cc1ccccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylbenzonitrile?
The InChIKey is JTFZCTGJQMYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NS/c14-10-5-6-11(15)13(7-10)17-12-4-2-1-3-9(12)8-16/h1-7H.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylbenzonitrile?
2-(2,5-dichlorophenyl)sulfanylbenzonitrile has a molecular weight of 280.18 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylbenzonitrile is sourced from PubChem (CID 29273025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).