Nickel(II) dibutyldithiocarbamate

Catalog Number	ACM13927770-3
CAS	13927-77-0
Structure
Description	DryPowder
Synonyms	Bis(dibutyldithiocarbamate)nickel complex
IUPAC Name	N,N-dibutylcarbamodithioate;nickel(2+)
Molecular Weight	467.43
Molecular Formula	C18H36N2NiS4
Canonical SMILES	CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
InChI	InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;+2/p-2
InChI Key	HPOWMHUJHHIQGP-UHFFFAOYSA-L
Melting Point	89 °C
Purity	97%+
Density	1.26
Appearance	Green to dark green powder to crystal
Complexity	112
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
EC Number	237-696-2
Exact Mass	466.111476
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	466.111476
Rotatable Bond Count	12
Topological Polar Surface Area	72.7 Ų