4,5,6-Trimethyl-pyrimidine-2-thiol

Base Information

• Chemical Name: 4,5,6-Trimethyl-pyrimidine-2-thiol
• CAS No.: 17697-92-6
• Molecular Formula: C₇H₁₀N₂S
• Molecular Weight: 154.236
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90368681
• Mol file: 17697-92-6.mol

Synonyms:4,5,6-Trimethyl-pyrimidine-2-thiol;17697-92-6;4,5,6-trimethyl-1H-pyrimidine-2-thione;trimethylpyrimidine-2-thiol;4,5,6-Trimethyl-2-pyrimidinethiol;DTXSID90368681;WBHYXTQPYHIWBO-UHFFFAOYSA-N;4,5,6-Trimethylpyrimidine-2-thiol;AKOS000116505;4,5,6-Trimethyl-2-pyrimidinethiol #;CCG-321104;Pyrimidine-2-thiol, 4,5,6-trimethyl-;CS-0355963;EN300-06075;Z56915976

Chemical Property of 4,5,6-Trimethyl-pyrimidine-2-thiol

Chemical Property:

• Vapor Pressure: 0.0827mmHg at 25°C
• Boiling Point: 226.2°Cat760mmHg
• Flash Point: 90.6°C
• PSA: 64.58000
• Density: 1.16g/cm³
• LogP: 1.69050
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.05646950
• Heavy Atom Count: 10
• Complexity: 238

Purity/Quality:

98%Min ^*data from raw suppliers

4,5,6-TRIMETHYL-PYRIMIDINE-2-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=S)N=C1C)C

Technology Process of 4,5,6-Trimethyl-pyrimidine-2-thiol

There total 5 articles about 4,5,6-Trimethyl-pyrimidine-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: 76.0%

thiourea (17356-08-0) + 3-Methyl-2,4-pentanedione (815-57-6) → 4,5,6-trimethyl-2,5-dihydro-2-thioxopyrimidine (17697-92-6)

Guidance literature:

With hydrogenchloride; In ethanol; for 4h; Heating;

Reference yield: 70.0%

N-benzoyl-N'-(1,2-dimethyl-3-oxo-1-butenyl)thiourea (85741-87-3) → 4,5,6-trimethyl-2,5-dihydro-2-thioxopyrimidine (17697-92-6)

Guidance literature:

With sodium methylate; In methanol; for 1h; Ambient temperature;

Reference yield: 28.0%

thiourea (17356-08-0) + 3-Methyl-2,4-pentanedione (815-57-6) → 4,5,6-trimethylpyrimidine-2-thiol (17697-92-6)

Guidance literature:

3-Methyl-2,4-pentanedione; With hydrogenchloride; In ethanol; at 20 ℃; for 0.5h;

thiourea; In ethanol; at 100 ℃; for 0.833333h; Microwave irradiation; Sealed tube;

DOI:10.1021/acs.jmedchem.5b01517

upstream raw materials:

thiourea

3-Methyl-2,4-pentanedione

N-benzoyl-N'-(1,2-dimethyl-3-oxo-1-butenyl)thiourea

4-amino-3-methylpent-3-en-2-one