3-[(1-Ethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid

SpectraBase Compound ID	LcZdRXfEm55
InChI	InChI=1S/C12H14N2O2S/c1-2-14-10-6-4-3-5-9(10)13-12(14)17-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKey	BTPUORIJGQSIMG-UHFFFAOYSA-N Google Search
Mol Weight	250.32 g/mol
Molecular Formula	C12H14N2O2S
Exact Mass	250.077599 g/mol

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SpectraBase Spectrum ID	6VkrMlIorjJ
Name	3-[(1-Ethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Alternate Name(s)	3-(1-Ethylbenzimidazol-2-yl)sulfanylpropanoic acid 3-[(1-ethyl-2-benzimidazolyl)thio]propanoic acid 3-[(1-ethylbenzimidazol-2-yl)thio]propionic acid Propanoic acid, 3-(1-ethyl-2-benzimidazolylthio)-
CAS Registry Number	51099-68-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H14N2O2S
InChI	InChI=1S/C12H14N2O2S/c1-2-14-10-6-4-3-5-9(10)13-12(14)17-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKey	BTPUORIJGQSIMG-UHFFFAOYSA-N
Molecular Weight	250.316 g/mol
SMILES	OC(CCSc1nc2ccccc2[n]1CC)=O
SPLASH	splash10-0fb9-2930000000-f509c9def9da22bfe6b2
Source of Spectrum	AD-0-2532-0
Wiley ID	1432245