Vitas-M small molecule compound

2-(hexylsulfanyl)-1H-benzimidazole

Catalog ID
STK738165
SMILES CCCCCCSc1nc2c([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 C13H18N2S MW 234.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2S/c1-2-3-4-7-10-16-13-14-11-8-5-6-9-12(11)15-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,15)
InChIKey
LFOFGGGRNCIICE-UHFFFAOYSA-N
Synonyms
70825-03-5
1H13BENZIMIDAZOLE2(HEXYLTHIO)
1HBENZIMIDAZOLE2(HEXYLTHIO)
2(hexylsulfanyl)1Hbenzimidazole
2(HEXYLTHIO)1HBENZO(D)IMIDAZOLE
2HEXYLSULFANYL1HBENZIMIDAZOLE
2HEXYLTHIOBENZIMIDAZOLE
70825035
CCCCCCSC1=NC2=CC=CC=C2N1
CCCCCCSc1nc2c((nH)1)cccc2
InChI=1SC13H18N2Sc123471016131411856912(11)1513h5689H24710H21H3(H1415)
MFCD02074362
ZINC000012419800
ZINC12419800

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Available files

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