Vitas-M small molecule compound

4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK442528
SMILES Sc1nncn1c1ccccc1C(F)(F)F

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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 C9H6F3N3S MW 245.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-2-4-7(6)15-5-13-14-8(15)16/h1-5H,(H,14,16)
InChIKey
WIDPGOMVFKGRCT-UHFFFAOYSA-N
Synonyms
306936-80-1
306936801
4(2(TRIFLUOROMETHYL)PHENYL)124TRIAZOLE3THIOL
4(2(TRIFLUOROMETHYL)PHENYL)1H124TRIAZOLE5THIONE
4(2(TRIFLUOROMETHYL)PHENYL)4H(124)TRIAZOLE3THIOL
4(2(trifluoromethyl)phenyl)4H124triazole3thiol
4(2PHENYL)4H124TRIAZOLE3THIOL
C1=CC=C(C(=C1)C(F)(F)F)N2C=NNC2=S
InChI=1SC9H6F3N3Sc109(1112)631247(6)15513148(15)16h15H(H1416)
MFCD00833298
ZINC000000127821
ZINC127821

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Available files

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