4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride

Base Information

• Chemical Name: 4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride
• CAS No.: 62501-45-5
• Molecular Formula: C6H8N2S^.HCl
• Molecular Weight: 176.67
• European Community (EC) Number: 263-578-5,248-883-3
• DSSTox Substance ID: DTXSID40182455
• Mol file: 62501-45-5.mol

Synonyms:4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride;28176-16-1;62501-45-5;4,6-dimethylpyrimidine-2-thiol hydrochloride;4,6-dimethylpyrimidine-2(1h)-thione hydrochloride;4,6-Dimethyl-2-mercaptopyrimidine hydrochloride;4,6-dimethyl-1H-pyrimidine-2-thione;hydrochloride;EINECS 248-883-3;EINECS 263-578-5;4,6-Dimethyl-2-pyrimidinethiol hydrochloride;2-Mercapto-4,6-dimethylpyrimidine hydrochloride;4,6-Dimethyl-1H-pyrimidine-2-thione monohydrochloride;4,6-dimethylpyrimidine-2-thiol, chloride;C6H8N2S.xClH;C6H8N2S.ClH;SCHEMBL5909837;C6-H8-N2-S.x-Cl-H;DTXSID40182455;KAHPDWLNROMIHC-UHFFFAOYSA-N;CCG-47534;AKOS024283039;4,6-dimethylpyrimidine-2-thiolhydrochloride;EN300-08035;2-mercapto-4,6-dimethyl-pyrimidine hydrochloride;SR-01000637141-1;F0176-0038;4,6-DIMETHYL-1H-PYRIMIDINE-2-THIONE, HYDROCHLORIDE

Chemical Property of 4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride

Chemical Property:

• Vapor Pressure: 0.169mmHg at 25°C
• Boiling Point: 212.9 °C at 760 mmHg
• Flash Point: 82.5 °C
• PSA: 64.58000
• LogP: 2.18410
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 176.0174972
• Heavy Atom Count: 10
• Complexity: 203

Purity/Quality:

98%Min ^*data from raw suppliers

4,6-Dimethylpyrimidine-2-thiol hydrochloride 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=S)N1)C.Cl

Technology Process of 4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride

There total 6 articles about 4,6-Dimethyl-1H-pyrimidine-2-thione hydrochloride 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: 90.0%

acetylacetone (123-54-6,81235-32-7) → pyrimidine hydrochloride (30680-61-6) + 2-mercapto-4,6-dimethyl-pyrimidine hydrochloride (62501-45-5)

Guidance literature:

With hydrogenchloride; thiourea; In ethanol;

Reference yield: 84.0%

pyrimidine hydrochloride (30680-61-6) + acetylacetone (123-54-6,81235-32-7) → 2-mercapto-4,6-dimethyl-pyrimidine hydrochloride (62501-45-5)

Guidance literature:

With hydrogenchloride; thiourea; In ethanol;

Reference yield: 80.0%

acetylacetone (123-54-6,81235-32-7) → 2-mercapto-4,6-dimethyl-pyrimidine hydrochloride (62501-45-5)

Guidance literature:

With hydrogenchloride; thiourea; In ethanol;

upstream raw materials:

trichlorooxobis(triphenylphosphine)rhenium(V)

4,6-dimethyl-pyrimidine-2-thione

thiourea

acetylacetone

Downstream raw materials:

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetic acid

2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamid