Vitas-M small molecule compound

5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK189753
SMILES Sc1nnc([nH]1)c1csc2c1CCCC2

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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 C10H11N3S2 MW 237.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H11N3S2/c14-10-11-9(12-13-10)7-5-15-8-4-2-1-3-6(7)8/h5H,1-4H2,(H2,11,12,13,14)
InChIKey
ZQBVRSLEWNDDRW-UHFFFAOYSA-N
Synonyms

5(4567tetrahydro1benzothiophen3yl)12dihydro124triazole3thione
5(4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
C1CCC2=C(C1)C(=CS2)C3=NC(=S)NN3
InChI=1SC10H11N3S2c1410119(121310)7515842136(7)8h5H14H2(H211121314)
MFCD05668295
Sc1nnc((nH)1)c1csc2c1CCCC2
ZINC000018208728
ZINC18208728

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Available files

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