4,5-Diamino-2,6-dimercaptopyrimidine

Base Information

• Chemical Name: 4,5-Diamino-2,6-dimercaptopyrimidine
• CAS No.: 31295-41-7
• Molecular Formula: C4H6 N4 S2
• Molecular Weight: 174.25
• Hs Code.: 2933599090
• European Community (EC) Number: 806-293-9
• NSC Number: 45757
• DSSTox Substance ID: DTXSID10361457
• Nikkaji Number: J1.010.872A
• Mol file: 31295-41-7.mol

Synonyms:31295-41-7;4,5-Diamino-2,6-dimercaptopyrimidine;5,6-Diaminopyrimidine-2,4-dithiol;5,6-diamino-1H-pyrimidine-2,4-dithione;2,4-Dimercapto-5,6-diamino-pyrimidine;5,6-Diamino-2,4(1H,3H)-pyrimidinedithione;5,6-Diaminopyrimidine-2,4(1H,3H)-dithione;NSC45757;SCHEMBL1155767;SCHEMBL9512634;DTXSID10361457;5,6-diamino-2,4-pyrimidinedithiol;AMY11313;4,5-Diaminopyrimidine-2,6-dithiol;MFCD00023229;NSC 45757;NSC-45757;5,6-Diamino-pyrimidine-2,4-dithiol;AKOS015892511;AKOS024287402;AC-26667;A5667;CS-0078719;FT-0646115;D73960;4,5-diamino-6-sulfanyl-2-pyrimidinyl hydrosulfide;AC-907/25014028;J-018368;4,5-Diamino-2,6-dimercaptopyrimidine, technical grade, 90%

Chemical Property of 4,5-Diamino-2,6-dimercaptopyrimidine

Chemical Property:

• Appearance/Colour: GREEN TO BROWN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: >300 ºC (dec.)
• Boiling Point: 258.1 °C at 760 mmHg
• PKA: 5.44±0.60(Predicted)
• Flash Point: 109.9 °C
• PSA: 155.42000
• Density: 1.68 g/cm³
• LogP: 1.38080
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 174.00338856
• Heavy Atom Count: 10
• Complexity: 231

Purity/Quality:

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

4,5-Diamino-2,6-dimercaptopyrimidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(NC(=S)NC1=S)N)N

Technology Process of 4,5-Diamino-2,6-dimercaptopyrimidine

There total 4 articles about 4,5-Diamino-2,6-dimercaptopyrimidine 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:

2,6-dichloro-5-nitropyrimidin-4-amine (31221-68-8) → 2,4-dimercapto-5,6-diaminopyrimidine (31295-41-7)

Guidance literature:

With sodium hydrogensulfide; hydrogen sulfide; water;

DOI:10.1021/ja01649a022

Reference yield:

4,5-diamino-6-hydroxy-2-thiopyrimidine (1004-76-8) → 4,5-diamino-2,6-dimercaptopyrimidine (31295-41-7)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine;

DOI:10.1080/00397910903162791

Reference yield:

→ 4,5-diamino-2,6-dimercaptopyrimidine (31295-41-7)

Guidance literature:

4,5-Diamino-6-hydroxy-2-mercapto-pyrimidin, P2S5, sd. Py., 2 h;

DOI:10.1021/ja01480a021

upstream raw materials:

2,6-dichloro-5-nitropyrimidin-4-amine

4,5-diamino-6-hydroxy-2-thiopyrimidine

Downstream raw materials:

1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dithione

purine-2,6(1H,3H)-dithione

2,6-bis(methylthio)pyrimidine-4,5-diamine

2,6-bis[[(2,3-difluorophenyl)methyl]thio]-4,5-pyrimidinediamine

Refernces