2(1H)-Pyrimidinethione, tetrahydro-1-methyl-

Base Information

• Chemical Name: 2(1H)-Pyrimidinethione, tetrahydro-1-methyl-
• CAS No.: 24421-05-4
• Deprecated CAS: 29306-58-9
• Molecular Formula: C5H10N2S
• Molecular Weight: 130.214
• European Community (EC) Number: 246-238-0
• DSSTox Substance ID: DTXSID2066985
• Nikkaji Number: J287.243I
• ChEMBL ID: CHEMBL6954
• Mol file: 24421-05-4.mol

Synonyms:24421-05-4;1-methyl-1,3-diazinane-2-thione;2(1H)-Pyrimidinethione, tetrahydro-1-methyl-;1-methyltetrahydropyrimidine-2(1H)-thione;Tetrahydro-1-methyl-1H-pyrimidine-2-thione;EINECS 246-238-0;1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinethiol;C5H10N2S;N-Methyltrimethylenethiourea;CHEMBL6954;SCHEMBL8347754;DTXSID2066985;KWRGMBARTDLYSH-UHFFFAOYSA-N;MFCD00154802;STK382853;AKOS005451929;CS-0223575;EN300-115888;1-methyl-1,4,5,6-tetrahydro-2-pyrimidinethiol;3,4,5,6-Tetrahydro-1-methylpyrimidine-2(1H)-thione

Chemical Property of 2(1H)-Pyrimidinethione, tetrahydro-1-methyl-

Chemical Property:

• Vapor Pressure: 1.03mmHg at 25°C
• PSA: 47.36000
• LogP: 0.46310
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 130.05646950
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

2(1H)-Pyrimidinethione,tetrahydro-1-methyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCNC1=S

Technology Process of 2(1H)-Pyrimidinethione, tetrahydro-1-methyl-

There total 6 articles about 2(1H)-Pyrimidinethione, tetrahydro-1-methyl- 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: 83.0%

N-Methyl-1,3-propanediamine (6291-84-5) + tetramethylammonium trifluoromethanethiolate → tetrahydro-1-methyl-1H-pyrimidine-2-thione (24421-05-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1021/acs.orglett.7b00689

Reference yield: 54.0%

1,1'-Thiocarbonyldiimidazole (6160-65-2) + N-Methyl-1,3-propanediamine (6291-84-5) → tetrahydro-1-methyl-1H-pyrimidine-2-thione (24421-05-4)

Guidance literature:

In ethyl acetate; at 25 ℃;

DOI:10.1039/c9sc00989b

Reference yield:

(3-Amino-propyl)-methyl-dithiocarbamic acid (343926-83-0) → tetrahydro-1-methyl-1H-pyrimidine-2-thione (24421-05-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 10h; Yield given; Heating;

DOI:10.1021/jm00141a015

upstream raw materials:

carbon disulfide

N-Methyl-1,3-propanediamine

(3-Amino-propyl)-methyl-dithiocarbamic acid

1,1'-Thiocarbonyldiimidazole

Downstream raw materials:

2-(1-methyl-1,4,5,6-tetrahydro-pyrimidin-2-ylsulfanyl)-1-phenyl-ethanone

1-methyltetrahydropyrimidin-2(1H)-one