Dithiourazol - CAS 5650-03-3

Catalog:	BB066563
Product Name:	Dithiourazol
CAS:	5650-03-3
Synonyms:	Dithiourazole; s-Triazole-3,5-dithiol (7CI); 1H-1,2,4-Triazole-3,5(2H,4H)-dithione; 3,5-Dimercapto-1,2,4-triazole; 3,5-Dimercapto-4H-1,2,4-triazole; 4H-1,2,4-Triazole-3,5-dithiol

Technical Data

IUPAC Name:	1,2,4-triazolidine-3,5-dithione
Description:	Dithiourazol can be used in methods to manufacture plated article using photosensitive compounds. Dithiourazol is an impurity of 2-Imino-4-thiobiuret (I449995), , which is used in the design and synthesis of guanylthiourea derivatives which are potential inhibitors of plasmodium falciparum dihydrofolate reductase enzyme. 2-Imino-4-thiobiuret is also used as a reagent in recyclization reactions of N-arylmaleimides with polynucleophilic compounds.
Molecular Weight:	133.2
Molecular Formula:	C2H3N3S2
Canonical SMILES:	C1(=S)NC(=S)NN1
InChI:	InChI=1S/C2H3N3S2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)
InChI Key:	WYENVTYBQKCILL-UHFFFAOYSA-N
References:	Adane, L., et al. Bioorgan. Med. Chem. Lett., 24, 613 (2014); Zorina, A., et al. Chem. Heterocyc. Compd., 50, 1541(2015).

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.97683946
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	132.97683946
Rotatable Bond Count:	0
Topological Polar Surface Area:	100Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1