Octahydro-2H-cyclopentapyrimidine-2-thione

Base Information

• Chemical Name: Octahydro-2H-cyclopentapyrimidine-2-thione
• CAS No.: 51793-51-2
• Molecular Formula: C7H12 N2 S
• Molecular Weight: 156.252
• Hs Code.: 2933990090
• European Community (EC) Number: 257-424-6
• DSSTox Substance ID: DTXSID40966116
• Nikkaji Number: J294.914H
• Mol file: 51793-51-2.mol

Synonyms:Octahydro-2H-cyclopentapyrimidine-2-thione;51793-51-2;Octahydrocyclopentapyrimidine-2-thione;2H-Cyclopentapyrimidine-2-thione, octahydro-;EINECS 257-424-6;Hexahydro-4,5-trimethylenepyrimidine-2-thione;SCHEMBL9082577;DTXSID40966116;4,4a,5,6,7,7a-Hexahydro-1H-cyclopenta[d]pyrimidine-2-thiol;1,3,4,4a,5,6,7,7a-Octahydro-2H-cyclopentapyrimidine-2-thione

Chemical Property of Octahydro-2H-cyclopentapyrimidine-2-thione

Chemical Property:

• Vapor Pressure: 0.043mmHg at 25°C
• Boiling Point: 238.2°C at 760 mmHg
• Flash Point: 97.8°C
• PSA: 63.19000
• Density: 1.21g/cm³
• LogP: 0.80850
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 156.07211956
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CNC(=S)NC2C1

Technology Process of Octahydro-2H-cyclopentapyrimidine-2-thione

There total 3 articles about Octahydro-2H-cyclopentapyrimidine-2-thione 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:

→ octahydro-cyclopentapyrimidine-2-thione (51793-51-2)

Guidance literature:

2-Aminomethyl-cyclopentylamin, CS2,Δ (Prod.:aequimolare Mischung);

Reference yield:

→ octahydro-cyclopentapyrimidine-2-thione (51793-51-2,53046-41-6,53046-42-7)

Guidance literature:

2-Aminomethyl-cyclopentylamin, CS2,Δ;

Reference yield:

→ octahydro-cyclopentapyrimidine-2-thione (51793-51-2,53046-41-6,53046-42-7)

Guidance literature:

2-Aminomethyl-cyclopentylamin, CS2,Δ;

Downstream raw materials:

S-(phenacyl)-2-mercapto-5,6-trimethylene-1,4,5,6-tetrahydropyrimidine

S-(p-chlorophenacyl)-2-mercapto-5,6-trimethylene-1,4,5,6-tetrahydropyrimidine

2-(4,4a,5,6,7,7a-Hexahydro-1H-cyclopentapyrimidin-2-yl)-1-phenyl-ethanone