Guanidine, (3-mercaptopropyl)-

Base Information

• Chemical Name: Guanidine, (3-mercaptopropyl)-
• CAS No.: 2458-59-5
• Molecular Formula: C4H11 N3 S
• Molecular Weight: 133.217
• DSSTox Substance ID: DTXSID00179321
• Nikkaji Number: J723.861D
• Mol file: 2458-59-5.mol

Synonyms:Guanidine, (3-mercaptopropyl)-;2458-59-5;(3-Mercaptopropyl)guanidine;mercaptopropyl-guanidine;1-(3-Mercaptopropyl)guanidine;SCHEMBL6338399;DTXSID00179321;AKOS006340281

Chemical Property of Guanidine, (3-mercaptopropyl)-

Chemical Property:

• Vapor Pressure: 0.00391mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 279.9oC at 760 mmHg
• Flash Point: 123.1oC
• Density: 1.28g/cm3
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 133.06736854
• Heavy Atom Count: 8
• Complexity: 77.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN=C(N)N)CS

Technology Process of Guanidine, (3-mercaptopropyl)-

There total 6 articles about Guanidine, (3-mercaptopropyl)- 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:

S-aminopropylisothiourea (7320-57-2) → mercapto-3 propylamine (462-47-5) + 3-guanidinopropanethiol (2458-59-5)

Guidance literature:

DOI:10.1021/ja01546a038

Reference yield:

S-aminopropylisothiourea (7320-57-2) + water (7732-18-5) → mercapto-3 propylamine (462-47-5) + 3-guanidinopropanethiol (2458-59-5)

Guidance literature:

zeitlicher Verlauf der Bildung in Loesungen vom pH 2.5 bis pH 6.5;

DOI:10.1021/ja01546a038

Reference yield:

→ 3-guanidinopropanethiol (2458-59-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01546a038

upstream raw materials:

S-(3-aminopropyl)isothiourea dihydrobromide

S-aminopropylisothiourea

water

Downstream raw materials:

2-amino-4,5-dihydro-6H-1,3-thiazine

Refernces