Vitas-M small molecule compound

5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK441260
SMILES C=CCn1c(S)nnc1C(C)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 C8H13N3S MW 183.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H13N3S/c1-4-5-11-7(6(2)3)9-10-8(11)12/h4,6H,1,5H2,2-3H3,(H,10,12)
InChIKey
XHQBOBWLBDYQDW-UHFFFAOYSA-N
Synonyms
590376-67-3
3PROPAN2YL4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5ISOPROPYL4H124TRIAZOLE3THIOL
5(METHYLETHYL)4PROP2ENYL124TRIAZOLE3THIOL
5(propan2yl)4(prop2en1yl)4H124triazole3thiol
590376673
5ISOPROPYL4(PROP2EN1YL)124TRIAZOLE3THIOL
CC(C)C1=NNC(=S)N1CC=C
InChI=1SC8H13N3Sc145117(6(2)3)9108(11)12h46H15H223H3(H1012)
MFCD03423412
ZINC000005977385
ZINC05977385
ZINC5977385

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Available files

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