Hydrazinecarbothioamide, 2,2'-[1-(2-ethoxyethyl)-1,2-ethanediylidene]bis[N-[(4-ethoxyphenyl)methyl]-, copper complex

Catalog Number	ACM93556797
CAS	93556-79-7
Synonyms	Copper, ((2,2'-(1-(2-ethoxyethyl)-1,2-ethanediylidene)bis(N-((4-ethoxyphenyl)methyl)hydrazinecarbothiamidato))(2-)-N (sup 2), N(sup 2'),S,S')-
Molecular Weight	608.28
Molecular Formula	C26H36CuN6O3S2
Canonical SMILES	CCOCCC(C=NNC(=NCC1=CC=C(C=C1)OCC)[S-])NNC(=NCC2=CC=C(C=C2)OCC)[S-].[Cu+2]
InChI	InChI=1S/C26H38N6O3S2.Cu/c1-4-33-16-15-22(30-32-26(37)28-18-21-9-13-24(14-10-21)35-6-3)19-29-31-25(36)27-17-20-7-11-23(12-8-20)34-5-2;/h7-14,19,22,30H,4-6,15-18H2,1-3H3,(H2,27,31,36)(H2,28,32,37);/q;+2/p-2/b29-19+;
InChI Key	BBWCEBSUUFTDSG-ZHHZSZKJSA-L
Purity	98%
Complexity	681
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	607.158628
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCOCCC(/C=N/NC(=NCC1=CC=C(C=C1)OCC)[S-])NNC(=NCC2=CC=C(C=C2)OCC)[S-].[Cu+2]
Monoisotopic Mass	607.158628
Rotatable Bond Count	18
Topological Polar Surface Area	103 Ų