Zinc N-ethyl-N-phenyldithiocarbamate

Catalog Number	ACM14634936-3
CAS	14634-93-6
Structure
Synonyms	N-Ethyl-N-phenyldithiocarbamic acid zinc salt
IUPAC Name	zinc;N-ethyl-N-phenylcarbamodithioate
Molecular Weight	458
Molecular Formula	C18H20N2S4Zn
Canonical SMILES	CCN(C1=CC=CC=C1)C(=S)[S-].CCN(C1=CC=CC=C1)C(=S)[S-].[Zn+2]
InChI	InChI=1S/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;+2/p-2
InChI Key	KMNUDJAXRXUZQS-UHFFFAOYSA-L
Melting Point	206-208 °C
Purity	98%+
Complexity	147
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
EC Number	238-677-1
Exact Mass	455.980075
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	455.980075
Rotatable Bond Count	4
Topological Polar Surface Area	72.7 Ų