2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile

C15H10N2OS — CID 10778161

IUPAC2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile
SMILESCOc1ccc(Sc2cc(C#N)ccc2C#N)cc1
InChIInChI=1S/C15H10N2OS/c1-18-13-4-6-14(7-5-13)19-15-8-11(9-16)2-3-12(15)10-17/h2-8H,1H3
InChIKeyRMPYWOFJFLXPKK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.59
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile

2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile (PubChem CID 10778161) has the molecular formula C15H10N2OS and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile
PubChem CID10778161
Molecular FormulaC15H10N2OS
Molecular Weight266.32 g/mol
Exact Mass266.05
IUPAC Name2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile
SMILESCOc1ccc(Sc2cc(C#N)ccc2C#N)cc1
InChIInChI=1S/C15H10N2OS/c1-18-13-4-6-14(7-5-13)19-15-8-11(9-16)2-3-12(15)10-17/h2-8H,1H3
InChIKeyRMPYWOFJFLXPKK-UHFFFAOYSA-N
XLogP3.59
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)sulfanylbenzene-1,3-dicarbonitrile
CID 91878360
2-(4-propoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10565745
2-(4-chlorophenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10516242
2-(4-methoxyphenyl)sulfanyl-5-methylbenzonitrile
CID 114017345
2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
CID 91876567
5-amino-2-(4-methoxyphenyl)sulfanylbenzonitrile
CID 2769212
4-methoxy(13C)benzonitrile
CID 175991125
4-chloro-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 63092064
5-methoxy-2-(4-nitrophenyl)sulfanylbenzonitrile
CID 91878918
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
CID 81302751
2-(2,5-dimethylphenyl)sulfanyl-4-methoxybenzonitrile
CID 81303890
4-methoxy-2-(4-methylpyrimidin-2-yl)sulfanylbenzonitrile
CID 81303148

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile (CID 10778161) is 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile is COc1ccc(Sc2cc(C#N)ccc2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile?
The InChIKey is RMPYWOFJFLXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c1-18-13-4-6-14(7-5-13)19-15-8-11(9-16)2-3-12(15)10-17/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile?
2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile has a molecular weight of 266.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 10778161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).