Vitas-M small molecule compound

4-{[(E)-(4-chlorophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STL495919
SMILES Clc1ccc(cc1)/C=N/n1cnnc1S

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C9H7ClN4S MW 238.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7ClN4S/c10-8-3-1-7(2-4-8)5-12-14-6-11-13-9(14)15/h1-6H,(H,13,15)/b12-5+
InChIKey
XPWPLNKWFLQQBW-LFYBBSHMSA-N
Synonyms

4(((E)(4chlorophenyl)methylidene)amino)4H124triazole3thiol
4((E)(4chlorophenyl)methylideneamino)1H124triazole5thione
C1=CC(=CC=C1C=NN2C=NNC2=S)Cl
Clc1ccc(cc1)C=Nn1cnnc1S
InChI=1SC9H7ClN4Sc108317(248)51214611139(14)15h16H(H1315)b125+
MFCD03536110
ZINC000005411211

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.