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3586-60-5

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Basic Information
CAS No.: 3586-60-5
Name: Arsenic dimethyldithiocarbamate
Molecular Structure:
Molecular Structure of 3586-60-5 (Arsenic dimethyldithiocarbamate)
Formula: C9H18AsN3S6
Molecular Weight: 435.58
Synonyms: Carbamicacid, dimethyldithio-, tris(anhydrosulfide) with (HS)3As (7CI);Carbamic acid,dimethyldithio-, tris(anhydrosulfide) with thioarsenious acid (6CI);Carbamicacid, dimethyldithio-, tris(anhydrosulfide) with thioarsenious acid (H3AsS3)(8CI);Carbamodithioic acid, dimethyl-, tris(anhydrosulfide) witharsenotrithious acid (9CI);Thioarsenious acid (H3AsS3), tris(anhydrosulfide)with dimethyldithiocarbamic acid (8CI);Asomate;TDDA;TTCA;Tris(dimethyldithiocarbamato)arsenic;Tris(dimethyldithiocarbamoyl)arsine;bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate;
Melting Point: 238-240 °C
Boiling Point: 461.1 °C at 760 mmHg
Flash Point: 232.6 °C
Hazard Symbols: T,N
Risk Codes: 23/25-50/53
Safety: 20/21-28-45-60-61
PSA: 181.89000
LogP: 2.71040
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Specification

The Carbamodithioic acid,N,N-dimethyl-, anhydrosulfide with arsenotrithious acid (3:1), with the CAS registry number 3586-60-5, has the systematic name of 3-[(dimethylcarbamothioyl)sulfanyl]-N,N,6-trimethyl-1,5-dithioxo-2,4-dithia-6-aza-3-arsaheptan-1-amine. It belongs to the product category of Fungicide. And the molecular formula of the chemical is C9H18AsN3S6.

The characteristics of Carbamodithioic acid,N,N-dimethyl-, anhydrosulfide with arsenotrithious acid (3:1) are as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 181.89 Å2; (5)Flash Point: 232.6 °C; (6)Enthalpy of Vaporization: 72.19 kJ/mol; (7)Boiling Point: 461.1 °C at 760 mmHg; (8)Vapour Pressure: 1.11E-08 mmHg at 25°C. 
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(S[As](SC(=S)N(C)C)SC(=S)N(C)C)N(C)C
(2)InChI: InChI=1/C9H18AsN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3
(3)InChIKey: GAMFEMAXLMWCRG-UHFFFAOYAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1300mg/kg (1300mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 393, 1971.