3-hydrazinyl-4-phenylsulfanylbenzonitrile

C13H11N3S — CID 118043000

IUPAC3-hydrazinyl-4-phenylsulfanylbenzonitrile
SMILESN#Cc1ccc(Sc2ccccc2)c(NN)c1
InChIInChI=1S/C13H11N3S/c14-9-10-6-7-13(12(8-10)16-15)17-11-4-2-1-3-5-11/h1-8,16H,15H2
InChIKeyRJTHVGMNBGLBBU-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.00
Rot. Bonds3

About 3-hydrazinyl-4-phenylsulfanylbenzonitrile

3-hydrazinyl-4-phenylsulfanylbenzonitrile (PubChem CID 118043000) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-hydrazinyl-4-phenylsulfanylbenzonitrile.

Molecular Properties

Compound Name3-hydrazinyl-4-phenylsulfanylbenzonitrile
PubChem CID118043000
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name3-hydrazinyl-4-phenylsulfanylbenzonitrile
SMILESN#Cc1ccc(Sc2ccccc2)c(NN)c1
InChIInChI=1S/C13H11N3S/c14-9-10-6-7-13(12(8-10)16-15)17-11-4-2-1-3-5-11/h1-8,16H,15H2
InChIKeyRJTHVGMNBGLBBU-UHFFFAOYSA-N
XLogP3.00
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2-phenylsulfanylanilino)benzonitrile
CID 100656068
3-hydrazinyl-4-(trifluoromethylsulfanyl)benzonitrile
CID 166641689
sodium;hydride;3-phenylsulfanyl-4-sulfanylbenzonitrile
CID 173214911
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 4584042
4-(4-aminophenyl)sulfanylbenzene-1,3-dicarbonitrile
CID 91878310
2,6-bis(phenylsulfanyl)benzonitrile
CID 139640767
5-(aminomethyl)-2-phenylsulfanylbenzonitrile
CID 114063913
3-chloro-4-(4-chlorophenyl)sulfanylbenzonitrile
CID 63538752
2-[2-(4-aminophenyl)sulfanyl-5-cyanophenyl]acetic acid
CID 91878314
3-fluoro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 104590977
2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid
CID 138619821
6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide
CID 1471759

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-4-phenylsulfanylbenzonitrile?
The IUPAC name of 3-hydrazinyl-4-phenylsulfanylbenzonitrile (CID 118043000) is 3-hydrazinyl-4-phenylsulfanylbenzonitrile.
What is the SMILES notation for 3-hydrazinyl-4-phenylsulfanylbenzonitrile?
The canonical SMILES for 3-hydrazinyl-4-phenylsulfanylbenzonitrile is N#Cc1ccc(Sc2ccccc2)c(NN)c1.
What is the InChIKey of 3-hydrazinyl-4-phenylsulfanylbenzonitrile?
The InChIKey is RJTHVGMNBGLBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-9-10-6-7-13(12(8-10)16-15)17-11-4-2-1-3-5-11/h1-8,16H,15H2.
What are the key properties of 3-hydrazinyl-4-phenylsulfanylbenzonitrile?
3-hydrazinyl-4-phenylsulfanylbenzonitrile has a molecular weight of 241.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-phenylsulfanylbenzonitrile is sourced from PubChem (CID 118043000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).