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| CAS No.: | 137-41-7 |
|---|---|
| Name: | Potassium N-methyldithiocarbamate |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C2H4KNS2 |
| Molecular Weight: | 145.291 |
| Synonyms: | Carbamicacid, methyldithio-, monopotassium salt (8CI);Carbamic acid, methyldithio-,potassium salt (6CI);Metam-potassium;PotassiumN-methyldithiocarbamate;Potassium methyldithiocarbamate; |
| EINECS: | 205-292-5 |
| Density: | 1.199 g/cm3 |
| Boiling Point: | 120.3 °C at 760 mmHg |
| Flash Point: | 26.6 °C |
| Solubility: |
Stability
Toxicology
|
| Appearance: | crystalline solid, but often supplied as a brown or yellow aqueous solution |
| PSA: | 69.42000 |
| LogP: | 1.07910 |
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- Total:21 Page 1 of 1 1
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Specification
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