5-Amino-2-thiocytosine dihydrochloride dihydrate

Base Information

• Chemical Name: 5-Amino-2-thiocytosine dihydrochloride dihydrate
• CAS No.: 79650-37-6
• Molecular Formula: C₄H₆N₄S*2ClH*2H₂O
• Molecular Weight: 251.137
• DSSTox Substance ID: DTXSID701000646
• Mol file: 79650-37-6.mol

Synonyms:5-amino-2-thiocytosine;5-amino-2-thiocytosine dihydrochloride dihydrate

Chemical Property of 5-Amino-2-thiocytosine dihydrochloride dihydrate

Chemical Property:

• Vapor Pressure: 0.07mmHg at 25°C
• Boiling Point: 229.3°C at 760 mmHg
• Flash Point: 92.5°C
• PSA: 122.04000
• LogP: 2.20370
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 250.0058022
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=S)NC(=C1N)N.O.O.Cl.Cl

Technology Process of 5-Amino-2-thiocytosine dihydrochloride dihydrate

There total 1 articles about 5-Amino-2-thiocytosine dihydrochloride dihydrate 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:

6-mercaptopurine (28128-19-0) → 5-amino-2-thiocytosine dihydrochloride dihydrate (79650-37-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1107/S0567740881007176

upstream raw materials:

6-mercaptopurine

Refernces