3-Amino-1,2,4-dithiazole-5-thione

Base Information

• Chemical Name: 3-Amino-1,2,4-dithiazole-5-thione
• CAS No.: 6846-35-1
• Molecular Formula: C2H2N2S3
• Molecular Weight: 150.249
• Hs Code.: 2934100090
• European Community (EC) Number: 229-933-3
• NSC Number: 65248
• DSSTox Substance ID: DTXSID90218576
• Nikkaji Number: J54.920G
• ChEMBL ID: CHEMBL1870250
• Mol file: 6846-35-1.mol

Synonyms:3-amino-1,2,4-dithiazole-5-thione;xanthane hydride

Chemical Property of 3-Amino-1,2,4-dithiazole-5-thione

Chemical Property:

• Vapor Pressure: 0.00344mmHg at 25°C
• Melting Point: 201-203 °C
• Refractive Index: 1.986
• Boiling Point: 282 °C at 760 mmHg
• PKA: -1.03±0.20(Predicted)
• Flash Point: 124.4 °C
• PSA: 127.48000
• Density: 2 g/cm³
• LogP: 2.09750
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.93801159
• Heavy Atom Count: 7
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Imino-3H-1,2,4-dithiazole-5-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC(=S)SS1)N
• Uses: 3-Imino-3H-1,2,4-dithiazole-5-thiol is used in preparation of amino dithiazole thione.

Technology Process of 3-Amino-1,2,4-dithiazole-5-thione

There total 19 articles about 3-Amino-1,2,4-dithiazole-5-thione 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: 95.4%

S,S-dimethyl dithiocarbonate (868-84-8) + thiourea (17356-08-0) → 5-amino-3H-1,2,4-dithiazole-3-thione (6846-35-1)

Guidance literature:

S,S-dimethyl dithiocarbonate; thiourea; With toluene-4-sulfonic acid; In ethanol; for 6h; Reflux;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In ethanol; at 30 - 50 ℃; for 14h; Concentration;

Reference yield: 65.0%

ammonium thiocyanate → 5-amino-3H-1,2,4-dithiazole-3-thione (6846-35-1)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 24h;

DOI:10.1039/d1ra07504g

Reference yield: 35.0%

ammonium thiocyanate (1147550-11-5) → 5-amino-3H-1,2,4-dithiazole-3-thione (6846-35-1)

Guidance literature:

With hydrogenchloride; In water; for 6h;

DOI:10.1134/S1070363218100043

upstream raw materials:

thiocyanic acid

trithioallophanic acid

potassium thioacyanate

ammonium thiocyanate

Downstream raw materials:

5-acetylamino-[1,2,4]dithiazole-3-thione

1-(3-Methoxy-phenyl)-dithiobiuret

1-(2-methoxy-phenyl)-dithiobiuret

1-p-methylphenyl-2,4-dithiobiuret