Vitas-M small molecule compound

1-(2,5-dihydroxyphenyl)-2,5-dimethyltetrahydrothiophenium

Catalog ID
STK372912
SMILES CC1CCC([S+]1c1cc(O)ccc1O)C

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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 C12H17O2S MW 225.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16O2S/c1-8-3-4-9(2)15(8)12-7-10(13)5-6-11(12)14/h5-9H,3-4H2,1-2H3,(H-,13,14)/p+1
InChIKey
OJTVJPHOXXMYQX-UHFFFAOYSA-O
Synonyms

1(25dihydroxyphenyl)25dimethyltetrahydrothiophenium
2(25DIMETHYLTHIOLAN1IUM1YL)BENZENE14DIOL
CC1CCC((S+)1c1cc(O)ccc1O)C
CC1CCC((S+)1C2=C(C=CC(=C2)O)O)C
InChI=1SC12H16O2Sc18349(2)15(8)12710(13)5611(12)14h59H34H212H3(H1314)p+1
MFCD00688034
ZINC000004084818
ZINC000239173656

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Available files

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