AC1L4JV6

[4-(1-ethyl-2-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)phenyl] thiocyanate

Also Known As: Thiocyanic acid, 4-(tetrahydro-1-oxo-3-thioxo-1H-(1,2,4)triazolo(1,2-a))-2(3H)-yl)phenyl ester|[4-(1-ethyl-2-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)phenyl] thiocyanate|1-ethyl-2-methyl-5-sulfanylidene-4-(4-thiocyanatophenyl)-1,2,4-triazolidin-3-one|4-(1-Ethyl-2-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)phenyl thiocyanate|Thiocyanic acid, 4-(tetrahydro-1-oxo-3-thioxo-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenylester

Molecular Formula	C12H12N4OS2
Molecular Weight	292.04526 g/mol
LogP	2.6
Topological Polar Surface Area	108.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	292.04526
Monoisotopic Mass	292.04526
Heavy Atoms	19
Complexity	425.0

Chemical Identifiers

CAS Number	76995-65-8
SMILES	CCN1C(=S)N(C(=O)N1C)C2=CC=C(C=C2)SC#N
InChIKey	DPEGLNPYTHGXDI-UHFFFAOYSA-N