Zinc dibenzyldithiocarbamate

Catalog Number	ACM14726364-2
CAS	14726-36-4
Structure
Synonyms	Dibenzyldithiocarbamic acid zinc salt
IUPAC Name	Zinc;N,N-dibenzylcarbamodithioate
Molecular Weight	610.2
Molecular Formula	C30H28N2S4Zn
Canonical SMILES	C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Zn+2]
InChI	InChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;+2/p-2
InChI Key	AUMBZPPBWALQRO-UHFFFAOYSA-L
Melting Point	183-188 °C
Purity	99%
Density	1.42 g/cm3
Appearance	Powder
Complexity	230
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	608.042675
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	608.042675
Rotatable Bond Count	8
Topological Polar Surface Area	72.7 Ų