2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile

C14H8N2S4 — CID 54276832

IUPAC2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile
SMILESN#Cc1ccccc1SSSSc1ccccc1C#N
InChIInChI=1S/C14H8N2S4/c15-9-11-5-1-3-7-13(11)17-19-20-18-14-8-4-2-6-12(14)10-16/h1-8H
InChIKeyRNZCDTOGNLJEDJ-UHFFFAOYSA-N
MW332.50 g/mol
LogP5.53
Rot. Bonds5

About 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile

2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile (PubChem CID 54276832) has the molecular formula C14H8N2S4 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile
PubChem CID54276832
Molecular FormulaC14H8N2S4
Molecular Weight332.50 g/mol
Exact Mass331.96
IUPAC Name2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile
SMILESN#Cc1ccccc1SSSSc1ccccc1C#N
InChIInChI=1S/C14H8N2S4/c15-9-11-5-1-3-7-13(11)17-19-20-18-14-8-4-2-6-12(14)10-16/h1-8H
InChIKeyRNZCDTOGNLJEDJ-UHFFFAOYSA-N
XLogP5.53
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2-(propan-2-yldisulfanyl)benzonitrile
CID 141270751
2-(trifluoromethylsulfanyl)benzonitrile
CID 2777863
2-propan-2-ylsulfanylbenzonitrile
CID 18915796
2-(trichloromethylsulfanyl)benzonitrile
CID 21224770
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
(2-cyanophenyl) hypoiodite
CID 154315791
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
2-cyclobutylsulfanylbenzonitrile
CID 117281596
2-pyrazin-2-ylsulfanylbenzonitrile
CID 63380568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile?
The IUPAC name of 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile (CID 54276832) is 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile.
What is the SMILES notation for 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile?
The canonical SMILES for 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile is N#Cc1ccccc1SSSSc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile?
The InChIKey is RNZCDTOGNLJEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S4/c15-9-11-5-1-3-7-13(11)17-19-20-18-14-8-4-2-6-12(14)10-16/h1-8H.
What are the key properties of 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile?
2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile has a molecular weight of 332.50 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile is sourced from PubChem (CID 54276832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).