CAS 98119-89-2

Formula: C18H13NO2S2

InChI: InChI=1S/C18H13NO2S2/c20-19(21)18-16(22-14-8-3-1-4-9-14)12-7-13-17(18)23-15-10-5-2-6-11-15/h1-13H

InChI key: GOMALWQZYLKPKP-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)SC2=C(C(=CC=C2)SC3=CC=CC=C3)[N+](=O)[O-]

2-Nitro-1,3-bis(phenylthio)benzene

Controlled Product

CAS: 98119-89-2

Applications 2-Nitro-1,3-bis(phenylthio)benzene is an intermediate in the synthesis of 9-Chloro Quetiapine (C366040). 9-Chloro Quetiapine is an impurity of Quetiapine hemifumarate (Q510000), a dibenzothiazepine antipsychotic medication used in the treatment of schizophrenia.
References Kumar, K., et al.: Org. Chem.: An Indian Journal, 8, 164 (2012); Raju, I., et al.: Chromatographia, 70, 545 (2009)

Formula: C₁₈H₁₃NO₂S₂

Color and Shape: Neat

Molecular weight: 339.43

Ref: TR-N900983