Vitas-M small molecule compound

3-isothiocyanatotetrahydrothiophene 1,1-dioxide

Catalog ID
STK801769
SMILES S=C=NC1CCS(=O)(=O)C1

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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 C5H7NO2S2 MW 177.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H7NO2S2/c7-10(8)2-1-5(3-10)6-4-9/h5H,1-3H2
InChIKey
PSOFIRZPDGOPJE-UHFFFAOYSA-N
Synonyms
85109-44-0
11DIOXOTHIOLAN3ISOTHIOCYANATE
3ISOTHIOCYANATO1E6THIOLANE11DIONE
3ISOTHIOCYANATO1L(6)THIOLANE11DIONE
3isothiocyanatotetrahydrothiophene11dioxide
3ISOTHIOCYANATOTHIOLANE11DIOXIDE
85109440
C1CS(=O)(=O)CC1N=C=S
InChI=1SC5H7NO2S2c710(8)215(310)649h5H13H2
MFCD00456661
THIOPHENETETRAHYDRO3ISOTHIOCYANATO11DIOXIDE
ZINC000003865998
ZINC000003865999

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Available files

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