Amino[(4-nitrobenzyl)sulfanyl]methaniminium chloride

Base Information

• Chemical Name: Amino[(4-nitrobenzyl)sulfanyl]methaniminium chloride
• CAS No.: 4357-96-4
• Molecular Formula: C8H10ClN3O2S
• Molecular Weight: 247.705
• Hs Code.: 2930909090
• Mol file: 4357-96-4.mol

Synonyms:amino[(4-nitrobenzyl)sulfanyl]methaniminium chloride;AKOS005075958;10P-132

Chemical Property of Amino[(4-nitrobenzyl)sulfanyl]methaniminium chloride

Chemical Property:

• Vapor Pressure: 3.24E-06mmHg at 25°C
• Boiling Point: 387.7°Cat760mmHg
• Flash Point: 188.3°C
• PSA: 120.99000
• Density: g/cm³
• LogP: 3.84670
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 247.0182254
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

2-(4-NITROBENZYL)-2-THIOPSEUDOUREA HYDROCHLORIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC(=[NH2+])N)[N+](=O)[O-].[Cl-]
• Uses: 2-(4-Nitrobenzyl)-2-thiopseudourea Hydrochloride is used in preparation of indoleamine dioxygenase and study SAR of benzylisothiourea derivatives.

Technology Process of Amino[(4-nitrobenzyl)sulfanyl]methaniminium chloride

There total 4 articles about Amino[(4-nitrobenzyl)sulfanyl]methaniminium chloride 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: 85.0%

4-nitrobenzyl chloride (100-14-1) + thiourea (17356-08-0) → S-(4-nitro-benzyl)-isothiourea; hydrochloride (4357-96-4)

Guidance literature:

In ethanol; at 95 ℃; for 2h;

DOI:10.1016/j.bmcl.2013.02.005

Reference yield: 75.0%

→ S-(4-nitro-benzyl)-isothiourea; hydrochloride (4357-96-4)

Guidance literature:

Reference yield:

thiourea (17356-08-0) → S-(4-nitro-benzyl)-isothiourea; hydrochloride (4357-96-4)

Guidance literature:

In ethanol; at 80 ℃; for 2h;

DOI:10.1016/j.tetlet.2016.11.109

upstream raw materials:

4-nitrobenzyl chloride

thiourea

4-nitrobenzyl chloride

Downstream raw materials:

4-nitrobenzaldehyde hydrazone

bis(4-nitrobenzyl)disulfide

(p-nitrophenyl)methanethiol

Refernces

• 1、 Barker, Courtney A.,Allison, Sarah E.,Zlitni, Soumaya,Nguyen, Nick Duc,Das, Rahul,Melacini, Giuseppe,Capretta, Alfredo A.,Brown, Eric D.. "Degradation of MAC13243 and studies of the interaction of resulting thiourea compounds with the lipoprotein targeting chaperone LolA". supporting information. p. 2426 - 2431. Retrieved 2013/05/21.
• 2、 -. "INHIBITION OF CELL PROLIFERATION". Page/Page column 47; 49; 53; 70. . Retrieved 2008/06/13.