Vitas-M small molecule compound

1-(3-isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole

Catalog ID
STK313041
SMILES S=C=NCCCn1nc(cc1C)C(F)(F)F

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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 C9H10F3N3S MW 249.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H10F3N3S/c1-7-5-8(9(10,11)12)14-15(7)4-2-3-13-6-16/h5H,2-4H2,1H3
InChIKey
HOCGNFHUZNBNGR-UHFFFAOYSA-N
Synonyms
1004643-65-5
1(3ISOTHIOCYANATOPROPYL)5METHYL3
1(3isothiocyanatopropyl)5methyl3(trifluoromethyl)1Hpyrazole
1(3isothiocyanatopropyl)5methyl3(trifluoromethyl)pyrazole
1(3ISOTHIOCYANATOPROPYL)5METHYL3TRIFLUOROMETHYL1HPYRAZOLE
1004643655
3(5METHYL3(TRIFLUOROMETHYL)PYRAZOLYL)PROPANISOTHIOCYANATE
CC1=CC(=NN1CCCN=C=S)C(F)(F)F
InChI=1SC9H10F3N3Sc1758(9(1011)12)1415(7)42313616h5H24H21H3
MFCD04970160
ZINC000002537932
ZINC02537932
ZINC2537932

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Available files

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