4-amino-1H-imidazole-5-carbothioamide

Base Information

• Chemical Name: 4-amino-1H-imidazole-5-carbothioamide
• CAS No.: 20271-18-5
• Molecular Formula: C4H6N4S
• Molecular Weight: 142.184
• NSC Number: 111585
• DSSTox Substance ID: DTXSID00942390
• Nikkaji Number: J1.486.027D

Synonyms:4-amino-1H-imidazole-5-carbothioamide;5-Amino-1H-imidazole-4-carbothioamide;20271-18-5;NSC111585;4-aminoimidazole-5-carbothiamide;DTXSID00942390;5-aminoimidazole-4-thiocarboxamide;STL440148;AKOS006339879;NSC-111585;5-Amino-1H-imidazole-4-carboximidothioic acid;EN300-1699995

Chemical Property of 4-amino-1H-imidazole-5-carbothioamide

Chemical Property:

• Vapor Pressure: 3.14E-11mmHg at 25°C
• Boiling Point: 527.8°Cat760mmHg
• Flash Point: 273°C
• Density: 1.582g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.03131738
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=NC(=C(N1)C(=S)N)N

Technology Process of 4-amino-1H-imidazole-5-carbothioamide

There total 3 articles about 4-amino-1H-imidazole-5-carbothioamide 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: 85.0%

5-amino-1H-imidazole-4-carbonitrile (5098-11-3) → 5-Aminoimidazole-4-thioamide (20271-18-5)

Guidance literature:

With hydrogenchloride; thiophosphate sodium salt hydrate; In water; water-d2; at 50 ℃; for 24h; pH=6.5; Sealed tube;

DOI:10.1055/s-0036-1589414

Reference yield:

2-Amino-2-cyanothioacetamide (52501-63-0) → 5-Aminoimidazole-4-thioamide (20271-18-5)

Guidance literature:

With ethanol; ammonia;

DOI:10.1070/MC2002v012n06ABEH001652

Reference yield:

→ 5-Aminoimidazole-4-thioamide (20271-18-5)

Guidance literature:

5(4)-Aminoimidazol-4(5)-carboxamid*Hydrochlorid, P4S10;

DOI:10.1007/BF00470508

upstream raw materials:

2-Amino-2-cyanothioacetamide

5-amino-1H-imidazole-4-carbonitrile

Downstream raw materials:

6H-purine-6-thione

1-Carbomethoxy-5-aminoimidazole-4-thioamide

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