4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile

C14H6Cl2N2S — CID 172636135

IUPAC4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Cl)c(Sc2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C14H6Cl2N2S/c15-11-1-3-12(4-2-11)19-14-6-10(8-18)9(7-17)5-13(14)16/h1-6H
InChIKeyOIQMFCROSKSPLV-UHFFFAOYSA-N
MW305.19 g/mol
LogP4.89
Rot. Bonds2

About 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile

4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile (PubChem CID 172636135) has the molecular formula C14H6Cl2N2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile
PubChem CID172636135
Molecular FormulaC14H6Cl2N2S
Molecular Weight305.19 g/mol
Exact Mass303.96
IUPAC Name4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Cl)c(Sc2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C14H6Cl2N2S/c15-11-1-3-12(4-2-11)19-14-6-10(8-18)9(7-17)5-13(14)16/h1-6H
InChIKeyOIQMFCROSKSPLV-UHFFFAOYSA-N
XLogP4.89
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile?
The IUPAC name of 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile (CID 172636135) is 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile is N#Cc1cc(Cl)c(Sc2ccc(Cl)cc2)cc1C#N.
What is the InChIKey of 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile?
The InChIKey is OIQMFCROSKSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2N2S/c15-11-1-3-12(4-2-11)19-14-6-10(8-18)9(7-17)5-13(14)16/h1-6H.
What are the key properties of 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile?
4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile has a molecular weight of 305.19 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chlorophenyl)sulfanylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 172636135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).