1,4,6-Triamino-1,2-dihydropyrimidine-2-thione

Base Information

• Chemical Name: 1,4,6-Triamino-1,2-dihydropyrimidine-2-thione
• CAS No.: 4765-63-3
• Molecular Formula: C4H7N5S
• Molecular Weight: 157.1969
• NSC Number: 75235
• DSSTox Substance ID: DTXSID60363446
• Nikkaji Number: J339.734C
• Wikidata: Q82147145
• Mol file: 4765-63-3.mol

Synonyms:1,4,6-triamino-1,2-dihydropyrimidine-2-thione;4765-63-3;1,4,6-triaminopyrimidine-2-thione;1,4,6-triamino-2(1H)-pyrimidinethione;1,4,6-triaminopyrimidine-2(1H)-thione;NSC75235;NCIOpen2_000895;SCHEMBL8871376;DTXSID60363446;NSC-75235;STL445906;AKOS001684537;CS-0248996;EN300-42112

Chemical Property of 1,4,6-Triamino-1,2-dihydropyrimidine-2-thione

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 336°C at 760 mmHg
• Flash Point: 157°C
• Density: 1.89g/cm³
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.04221642
• Heavy Atom Count: 10
• Complexity: 230

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(C(=S)N=C1N)N)N

Technology Process of 1,4,6-Triamino-1,2-dihydropyrimidine-2-thione

There total 3 articles about 1,4,6-Triamino-1,2-dihydropyrimidine-2-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:

thiosemicarbazide (79-19-6) + malononitrile (109-77-3) → 1,4,6-triamino-2(1H)-pyrimidinethione (4765-63-3)

Guidance literature:

With sodium ethanolate; In ethanol; for 24h; Heating;

DOI:10.1021/jm00048a018

Reference yield:

sodium metal + thiosemicarbazide (79-19-6) + malononitrile (109-77-3) → 1,4,6-triamino-2(1H)-pyrimidinethione (4765-63-3)

Guidance literature:

Reference yield:

→ 1,4,6-triamino-2(1H)-pyrimidinethione (4765-63-3)

Guidance literature:

Thiosemicarbazid, 1) aethanol. Natriumaethylat, Siedetemp., 2) Malonsaeuredinitril, Siedetemp.;

DOI:10.1021/jo01283a004

upstream raw materials:

thiosemicarbazide

malononitrile

Downstream raw materials:

7-Amino-2-phenyl<1,2,4>triazolo<1,5-c>pyrimidin-5(6H)-thione

2-Methyl-3-oxo(4H)-6-amino-8-thioxopyrimido<3,4-b>-1,2,4-triazine

Refernces

• 1、 Kim,Lim,Yeo,Bang,Kim,Kim,Woo -,Yang,Oh,Nahm. "Synthesis and antimicrobial activity of novel 3- [(aminopyrimidiniumyl)thio]methyl cephalosporins". . p. 3828 - 3833. Retrieved 2007/10/02.