(3-Aminopropyl)carbamodithioic acid

Base Information

• Chemical Name: (3-Aminopropyl)carbamodithioic acid
• CAS No.: 52098-86-9
• Molecular Formula: C4H10N2S2
• Molecular Weight: 150.269
• DSSTox Substance ID: DTXSID60966456
• Wikidata: Q82948861
• Mol file: 52098-86-9.mol

Synonyms:(3-Aminopropyl)carbamodithioic acid;52098-86-9;Carbamic acid, (3-aminopropyl)dithio-;BRN 1749751;Carbamodithioic acid, (3-aminopropoyl)-;Acide amino-3 (n-propyl)-dithiocarbamique [French];SCHEMBL11776641;DTXSID60966456;(3-Aminopropyl)carbonimidodithioic acid;LS-50760;Acide amino-3 (n-propyl)-dithiocarbamique;4-04-00-01269 (Beilstein Handbook Reference)

Chemical Property of (3-Aminopropyl)carbamodithioic acid

Chemical Property:

• Vapor Pressure: 0.0545mmHg at 25°C
• Boiling Point: 233.9°C at 760 mmHg
• Flash Point: 95.3°C
• Density: 1.191g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 150.02854067
• Heavy Atom Count: 8
• Complexity: 74.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CNC(=S)S

Technology Process of (3-Aminopropyl)carbamodithioic acid

There total 1 articles about (3-Aminopropyl)carbamodithioic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + Trimethylenediamine (109-76-2,54018-94-9) → (3-amino-propyl)-dithiocarbamic acid (52098-86-9)

Guidance literature:

With ethanol;

DOI:10.1021/ja01589a032

Reference yield:

(3-amino-propyl)-dithiocarbamic acid (52098-86-9) → 3,4,5,6-tetrahydropyrimidine-2-thione (2055-46-1)

Guidance literature:

at 150 ℃;

DOI:10.1021/ja01589a032

upstream raw materials:

carbon disulfide

Trimethylenediamine

Downstream raw materials:

3,4,5,6-tetrahydropyrimidine-2-thione

Refernces