Vitas-M small molecule compound

2-(pentylsulfanyl)-1H-benzimidazole

Catalog ID
STK866271
SMILES CCCCCSc1nc2c([nH]1)cccc2

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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 C12H16N2S MW 220.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2S/c1-2-3-6-9-15-12-13-10-7-4-5-8-11(10)14-12/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,14)
InChIKey
MIDRAWHTHZNLTB-UHFFFAOYSA-N
Synonyms
143966-19-2
143966192
1HBENZIMIDAZOLE2(PENTYLTHIO)
2(pentylsulfanyl)1Hbenzimidazole
2(PENTYLTHIO)1HBENZO(D)IMIDAZOLE
2PENTYLSULFANYL1HBENZIMIDAZOLE
2PENTYLTHIOBENZIMIDAZOLE
CCCCCSC1=NC2=CC=CC=C2N1
CCCCCSc1nc2c((nH)1)cccc2
InChI=1SC12H16N2Sc1236915121310745811(10)1412h4578H2369H21H3(H1314)
MFCD00450396
ZINC000002476969
ZINC02476969
ZINC2476969

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Available files

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