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Carbamodithioic acid,N,N-dimethyl-, anhydrosulfide with arsenotrithious acid (3:1)

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Name

Carbamodithioic acid,N,N-dimethyl-, anhydrosulfide with arsenotrithious acid (3:1)

EINECS N/A
CAS No. 3586-60-5 Density N/A
PSA 181.89000 LogP 2.71040
Solubility N/A Melting Point 238-240 °C
Formula C9H18AsN3S6 Boiling Point 461.1 °C at 760 mmHg
Molecular Weight 435.58 Flash Point 232.6 °C
Transport Information N/A Appearance N/A
Safety 20/21-28-45-60-61 Risk Codes 23/25-50/53
Molecular Structure Molecular Structure of 3586-60-5 (Arsenic dimethyldithiocarbamate) Hazard Symbols T,N
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;

 

Carbamodithioic acid,N,N-dimethyl-, anhydrosulfide with arsenotrithious acid (3:1) 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.

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