Vitas-M small molecule compound

3-(hydroxymethyl)-1,3-benzoxazole-2(3H)-thione

Catalog ID
STK528654
SMILES OCn1c(=S)oc2c1cccc2

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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 C8H7NO2S MW 181.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7NO2S/c10-5-9-6-3-1-2-4-7(6)11-8(9)12/h1-4,10H,5H2
InChIKey
ZKEHNZSMDNNRND-UHFFFAOYSA-N
Synonyms
3161-58-8
3(hydroxymethyl)13benzoxazole2(3H)thione
3(HYDROXYMETHYL)13BENZOXAZOLE2THIONE
3(hydroxymethyl)benzo(d)oxazole2(3H)thione
3161588
C1=CC=C2C(=C1)N(C(=S)O2)CO
InChI=1SC8H7NO2Sc1059631247(6)118(9)12h1410H5H2
MFCD00563254
ZINC000000404851
ZINC00404851
ZINC404851

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Available files

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