2,2'-Thiobis(4-tert-octylphenolato)-n-butylamine nickel(II)

Catalog Number	ACM14516713-2
CAS	14516-71-3
Structure
Synonyms	Butan-1-amine;nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate
Molecular Weight	572.5
Molecular Formula	C32H51NNiO2S
Canonical SMILES	CCCCN.CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2]
InChI	InChI=1S/C28H42O2S.C4H11N.Ni/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6;1-2-3-4-5;/h11-16,29-30H,17-18H2,1-10H3;2-5H2,1H3;/q;+2/p-2
InChI Key	DPLLDVMBMPQDCO-UHFFFAOYSA-L
Melting Point	245-280 °C
Purity	97%+
Exact Mass	571.299393
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Monoisotopic Mass	571.299393
Rotatable Bond Count	10
Topological Polar Surface Area	97.4 Ų