3-Aminopropanethiol

Base Information

• Chemical Name: 3-Aminopropanethiol
• CAS No.: 462-47-5
• Molecular Formula: C3H9NS
• Molecular Weight: 91.1772
• Hs Code.: 2930909090
• European Community (EC) Number: 207-326-4
• NSC Number: 123021
• DSSTox Substance ID: DTXSID50196765
• Nikkaji Number: J79.625E
• Wikidata: Q27118040
• Metabolomics Workbench ID: 56078
• Mol file: 462-47-5.mol

Synonyms:3-Aminopropanethiol;3-aminopropane-1-thiol;462-47-5;Homocysteamine;3-Mercaptopropylamine;1-Propanethiol, 3-amino-;Mercaptopropylamine;3-amino-1-propanethiol;EINECS 207-326-4;NSC 123021;BRN 1731100;4-04-00-01655 (Beilstein Handbook Reference);3-Amino-propane-1-thiol;aminopropylmercaptan;3CN;4LJ;XL3;1-amino-3-propanethiol;3-mercapto propyl amine;NCIOpen2_000573;CHEBI:38933;DTXSID50196765;NSC123021;AKOS005169827;NSC-123021;LS-120990;FT-0688165;EN300-85159;Q27118040

Chemical Property of 3-Aminopropanethiol

Chemical Property:

• Vapor Pressure: 3.67mmHg at 25°C
• Melting Point: 112-113 °C
• Refractive Index: 1.483
• Boiling Point: 151.4 °C at 760 mmHg
• PKA: 9.29±0.10(Predicted)
• Flash Point: 45.4°C
• PSA: 64.82000
• Density: 0.951 g/cm³
• LogP: 0.96530
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 91.04557046
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CS

Technology Process of 3-Aminopropanethiol

There total 24 articles about 3-Aminopropanethiol 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: 95.0%

Tetrahydro-1,3-thiazin-2-thion (5554-48-3) → mercapto-3 propylamine (462-47-5)

Guidance literature:

With sodium hydroxide; In water; for 1h; Heating;

Reference yield: 31.0%

S-[3-(1,3-dioxoisoindolin-2-yl)propyl] ethanethioate (221218-66-2) → mercapto-3 propylamine (462-47-5)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.1039/c9ta04018h

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 2-(3-mercaptopropyl)isoindoline-1,3-dione (39801-32-6) → mercapto-3 propylamine (462-47-5) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

at 180 - 200 ℃;

upstream raw materials:

2-(3-bromopropyl)isoindole-1,3-dione

dithiocarbonic acid O-ethyl ester-S-(3-phthalimido-propyl ester)

1-amino-2-propene

Tetrahydro-1,3-thiazin-2-thion

Downstream raw materials:

perhydrothiazine-1,3

2-(4-methoxy-phenethyl)-5,6-dihydro-4H-[1,3]thiazine

2-(2-m-tolyl-ethyl)-5,6-dihydro-4H-[1,3]thiazine

2-(3-fluoro-phenethyl)-5,6-dihydro-4H-[1,3]thiazine

Refernces

• 1、 -. "NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF". Paragraph 0381-0382. . Retrieved 2014/09/29.
• 2、 Ma, Yunhai,Xu, Jiaxi. "Synthesis of homotaurine and 1-substituted homotaurines from α,β-unsaturated nitriles". experimental part. p. 2225 - 2230. Retrieved 2012/09/22.