Vitas-M small molecule compound

1-isocyanato-3-(methylsulfanyl)benzene

Catalog ID
STK502565
SMILES O=C=Nc1cccc(c1)SC

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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 C8H7NOS MW 165.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7NOS/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
InChIKey
BKJABLMNBSVKCV-UHFFFAOYSA-N
Synonyms
28479-19-8
1ISOCYANATO3(METHYLSULFANYL)BENZENE
1ISOCYANATO3(METHYLTHIO)BENZENE
1ISOCYANATO3METHYLSULFANYLBENZENE
28479198
3(METHYLTHIO)PHENYLISOCYANATE
3METHYLTHIOBENZENISOCYANATE
3METHYLTHIOPHENYLISOCYANATE
CSC1=CC=CC(=C1)N=C=O
InChI=1SC8H7NOSc11184237(58)9610h25H1H3
MFCD00013863
MMETHYLTHIOPHENYLISOCYANATE
ZINC000000164949
ZINC00164949
ZINC164949

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Available files

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