5-Methylpyrimidine-2-thiol

Base Information

• Chemical Name: 5-Methylpyrimidine-2-thiol
• CAS No.: 42783-64-2
• Molecular Formula: C5H6N2S
• Molecular Weight: 126.18
• Hs Code.: 2933599090
• European Community (EC) Number: 824-927-2
• DSSTox Substance ID: DTXSID40403238
• Nikkaji Number: J2.569.390F
• Wikidata: Q82206856
• Mol file: 42783-64-2.mol

Synonyms:5-methylpyrimidine-2-thiol;42783-64-2;5-methylpyrimidine-2(1h)-thione;5-methyl-1H-pyrimidine-2-thione;2-Mercapto-5-methylpyrimidine;1007553-38-9;5-methyl-1,2-dihydropyrimidine-2-thione;SCHEMBL4760133;SCHEMBL8604935;DTXSID40403238;BBL038257;MFCD03465715;STK301584;5-Methyl-2-(|E1-sulfanyl)pyrimidine;AKOS000306305;CS-0078742;CS-0325513;FT-0739106;EN300-58154;InChI=1/C5H6N2S/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8

Chemical Property of 5-Methylpyrimidine-2-thiol

Chemical Property:

• Vapor Pressure: 0.304mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 201.7 °C at 760 mmHg
• Flash Point: 75.8 °C
• PSA: 60.77000
• Density: 1.24 g/cm³
• LogP: 1.44760
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.02516937
• Heavy Atom Count: 8
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

5-methyl-1,2-dihydropyrimidine-2-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CNC(=S)N=C1
• Uses: 5-methyl-1,2-dihydropyrimidine-2-thione is a useful research chemical.

Technology Process of 5-Methylpyrimidine-2-thiol

There total 3 articles about 5-Methylpyrimidine-2-thiol 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:

phosgene (75-44-5) + 3-dimethylamino-2-methyl-acrylaldehyde (19125-76-9) → 5-methyl-1H-pyrimidine-2-thione (42783-64-2)

Guidance literature:

With chloroform; Erwaermen des Reaktionsprodukts mit Thioharnstoff in Aethanol;

DOI:10.1093/gerona/55.10.M607

Reference yield:

→ 5-methyl-1H-pyrimidine-2-thione (42783-64-2)

Guidance literature:

3-Dimethylamino-2-methyl-acrolein, Thioharnstoff, Natriummethylat, A./Δ;

Reference yield:

→ 5-methyl-1H-pyrimidine-2-thione (42783-64-2)

Guidance literature:

Acrolein 2, Thioharnstoff;

upstream raw materials:

phosgene

3-dimethylamino-2-methyl-acrylaldehyde

Refernces

• 1、 Holy,Arnold. "Nucleic acid components and their analogues. CLVIII. Preparation of some substituted 2 amino and 2 mercaptopyrimidines from trimethinium salts". . p. 1371 - 1380. Retrieved 2007/10/05.