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Ammonium dithiocarbamate

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Name

Ammonium dithiocarbamate

EINECS 208-166-8
CAS No. 513-74-6 Density d420 1.451
PSA 100.15000 LogP 1.18400
Solubility soluble H2O [MER06] Melting Point 99oC
Formula CH6N2S2 Boiling Point 147.5 ºC at 760 mmHg
Molecular Weight 110.204 Flash Point 43 ºC
Transport Information N/A Appearance yellow crystal
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 513-74-6 (Ammonium dithiocarbamate) Hazard Symbols N/A
Synonyms

Ammoniumdithiocarbamate (6CI,7CI);Carbamic acid, dithio-, monoammonium salt (8CI);Carbamodithioic acid, monoammonium salt (9CI);Ammonium dithiocarbamate;

Article Data 34

Ammonium dithiocarbamate Specification

The Ammonium dithiocarbamate, with the CAS registry number 513-74-6, has the IUPAC name of azane; carbamodithioic acid. Being a kind of yellow crystal, it could substitute the hydrogen sulfide or ammonium sulfide for pptn of metals in chemical analysis, or synth of heterocyclic compound.

The physical properties of this chemical are as follows: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.7; (4)ACD/LogD (pH 7.4): -3.29; (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: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60.63; (13)Flash Point: 43 °C; (14)Enthalpy of Vaporization: 38.45 kJ/mol; (15)Boiling Point: 147.5 °C at 760 mmHg; (16)Vapour Pressure: 4.4 mmHg at 25°C; (17)Exact Mass: 109.99724; (18)MonoIsotopic Mass: 109.99724; (19)Topological Polar Surface Area: 60.1; (20)Heavy Atom Count: 5; (21)Complexity: 33.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(=S)(N)S.N
(2)InChI: InChI=1S/CH3NS2.H3N/c2-1(3)4;/h(H3,2,3,4);1H3
(3)InChIKey: DCYNAHFAQKMWDW-UHFFFAOYSA-N 

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