10H-Phenothiazine-2-carbonitrile

C₁₃H₈N₂SCAS 38642-74-9224.28 g/mol

Open in Covalent MOL file

Nitrile Secondary amine Sulfide

Properties

Molecular formula: C₁₃H₈N₂S
Molar mass: 224.28 g/mol
Exact mass: 224.0408 Da
Melting point: 204 °C
logP: 3.77Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

38642-74-9

SMILES

N#Cc1ccc2c(c1)Nc1ccccc1S2

InChIKey

XZSIGWOVDPSPMG-UHFFFAOYSA-N

InChI

InChI=1S/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Phenothiazine-2-carbonitrile
2-Cyanophenothiazine
NSC 170554
2-(Cyano)-10H-phenothiazine

Work with 10H-Phenothiazine-2-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenothiazine92-84-259 % similar 2-Chlorophenothiazine92-39-756 % similar 2-(Methylthio)-10H-phenothiazine7643-08-553 % similar 2-Methoxy-10H-phenothiazine1771-18-251 % similar 2-(Trifluoromethyl)-10H-phenothiazine92-30-851 % similar 2-Acetylphenothiazine6631-94-348 % similar Isophthalonitrile626-17-541 % similar 2-Naphthalenecarbonitrile613-46-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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