Vitas-M small molecule compound
2-[(cyanomethyl)sulfanyl]benzoic acid
Catalog ID
STL145107
SMILES N#CCSc1ccccc1C(=O)O
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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 C9H7NO2S MW 193.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7NO2S/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4H,6H2,(H,11,12)InChIKey
BGIYVQLKALMPFX-UHFFFAOYSA-NSynonyms
243984-86-32((cyanomethyl)sulfanyl)benzoicacid
2((CYANOMETHYL)THIO)BENZOICACID
2(CYANOMETHYLSULFANYL)BENZOICACID
243984863
C1=CC=C(C(=C1)C(=O)O)SCC#N
InChI=1SC9H7NO2Sc105613842137(8)9(11)12h14H6H2(H1112)
MFCD06359996
ZINC000003410593
ZINC3410593
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