Vitas-M small molecule compound

4-(4-chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK415375
SMILES Clc1ccc(cc1)n1c(C)nnc1S

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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 C9H8ClN3S MW 225.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8ClN3S/c1-6-11-12-9(14)13(6)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,14)
InChIKey
OWLOUYHMVYBXQJ-UHFFFAOYSA-N
Synonyms
17119-18-5
17119185
4(4CHLOROPHENYL)3METHYL1H124TRIAZOLE5THIONE
4(4CHLOROPHENYL)5METHYL124TRIAZOLE3THIOL
4(4CHLOROPHENYL)5METHYL4H(124)TRIAZOLE3THIOL
4(4chlorophenyl)5methyl4H124triazole3thiol
CC1=NNC(=S)N1C2=CC=C(C=C2)Cl
InChI=1SC9H8ClN3Sc1611129(14)13(6)8427(10)358h25H1H3(H1214)
MFCD04057385
ZINC000005926994
ZINC05926994
ZINC5926994

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Available files

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