1985-97-3 Purity
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Specification
The molecular formula is C10H8Cl2N4S.
The molecular weight is 287.17 g/mol.
It was created on March 22, 2012.
It was last modified on December 30, 2023.
The IUPAC name is N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-yl)ethanethioamide.
The InChI is InChI=1S/C10H8Cl2N4S/c11-7-1-2-9(8(12)3-7)15-10(17)4-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17).
The InChIKey is HKUNWRVMBFWJPZ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Cl)Cl)NC(=S)CN2C=NN=C2.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.