Carbamodithioic acid,ammonium salt (1:1) (513-74-6)

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