5-Pyrimidinethiol

Base Information

• Chemical Name: 5-Pyrimidinethiol
• CAS No.: 29878-64-6
• Molecular Formula: C₄H₄N₂S
• Molecular Weight: 112.155
• DSSTox Substance ID: DTXSID20405770
• Nikkaji Number: J1.043.941H
• Wikidata: Q72504889
• Mol file: 29878-64-6.mol

Synonyms:Pyrimidine-5-thiol;5-PYRIMIDINETHIOL;29878-64-6;5-Mercaptopyrimidine;5-Pyrimidinethiol(8ci,9ci);SCHEMBL146887;DTXSID20405770;AKOS006371978;EN300-1600535

Chemical Property of 5-Pyrimidinethiol

Chemical Property:

• Boiling Point: 212℃
• Flash Point: 82℃
• PSA: 64.58000
• Density: 1.267
• LogP: 0.76530
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.00951931
• Heavy Atom Count: 7
• Complexity: 51.7

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=N1)S

Technology Process of 5-Pyrimidinethiol

There total 1 articles about 5-Pyrimidinethiol 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:

5-bromopyrimidine (4595-59-9) → pyrimidine-5-thiol (29878-64-6)

Guidance literature:

With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide; In water; dimethyl sulfoxide; at 110 ℃; for 20h; Inert atmosphere;

DOI:10.1002/adsc.201400941

upstream raw materials:

5-bromopyrimidine

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