Ammonium dithiocarbamate supplier

Name
Ammonium dithiocarbamate
EINECS 208-166-8
CAS No. 513-74-6
Article Data34
CAS DataBase
Density d420 1.451
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
Appearance yellow crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ammoniumdithiocarbamate (6CI,7CI);Carbamic acid, dithio-, monoammonium salt (8CI);Carbamodithioic acid, monoammonium salt (9CI);Ammonium dithiocarbamate;
PSA 100.15000
LogP 1.18400

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

Product Name

Ammonium dithiocarbamate

Ammonium dithiocarbamate Specification

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