2-(2-chlorophenyl)sulfanylbenzonitrile

C13H8ClNS — CID 15643699

IUPAC2-(2-chlorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C13H8ClNS/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H
InChIKeyZUHMPLJSDJTSSQ-UHFFFAOYSA-N
MW245.73 g/mol
LogP4.36
Rot. Bonds2

About 2-(2-chlorophenyl)sulfanylbenzonitrile

2-(2-chlorophenyl)sulfanylbenzonitrile (PubChem CID 15643699) has the molecular formula C13H8ClNS and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanylbenzonitrile
PubChem CID15643699
Molecular FormulaC13H8ClNS
Molecular Weight245.73 g/mol
Exact Mass245.01
IUPAC Name2-(2-chlorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C13H8ClNS/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H
InChIKeyZUHMPLJSDJTSSQ-UHFFFAOYSA-N
XLogP4.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfanylbenzonitrile
CID 29273025
2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
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2-chlorobenzonitrile
CID 139060041
2-chlorobenzonitrile;hydron
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4-(2-chlorophenyl)sulfanyl-2-methylbenzonitrile
CID 59604553
2-(trichloromethylsulfanyl)benzonitrile
CID 21224770
2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile
CID 54276832
2-(2-chlorophenyl)sulfanylphenol
CID 20513469
6-chloro-7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 45120034
2-(4-tert-butylphenyl)sulfanylbenzonitrile
CID 15643695
2-(2-chlorophenyl)sulfanyl-2-methylpropanenitrile
CID 66155246
2-(2-aminophenyl)sulfanyl-4-chlorobenzonitrile
CID 63082288

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanylbenzonitrile?
The IUPAC name of 2-(2-chlorophenyl)sulfanylbenzonitrile (CID 15643699) is 2-(2-chlorophenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-(2-chlorophenyl)sulfanylbenzonitrile is N#Cc1ccccc1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanylbenzonitrile?
The InChIKey is ZUHMPLJSDJTSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNS/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H.
What are the key properties of 2-(2-chlorophenyl)sulfanylbenzonitrile?
2-(2-chlorophenyl)sulfanylbenzonitrile has a molecular weight of 245.73 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanylbenzonitrile is sourced from PubChem (CID 15643699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).