Carbamodithioic acid,methyl-, monopotassium salt (9CI) (137-41-7)

The Potassium methyldithiocarbamate, with the CAS registry number 137-41-7, has the IUPAC name of potassium N-methylcarbamodithioate. The molecular formula of the chemical is C₂H₄KNS₂. It is a kind of stable brown or yellow crystalline solid, but decomposes in water solution to give toxic hydrogen sulfide. What's more, it is incompatible with water, acids, copper, zinc.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -2.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 74.13 Å²; (13)Flash Point: 26.6 °C; (14)Enthalpy of Vaporization: 35.84 kJ/mol; (15)Boiling Point: 120.3 °C at 760 mmHg; (16)Vapour Pressure: 15.3 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [K+].[S-]C(=S)NC
(2)InChI: InChI=1/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1
(3)InChIKey: DQRQIQZHRCRSDB-REWHXWOFAB