5-Thiocyanatothiazol-2-amine

Base Information

• Chemical Name: 5-Thiocyanatothiazol-2-amine
• CAS No.: 23056-10-2
• Molecular Formula: C4H3 N3 S2
• Molecular Weight: 157.22
• Hs Code.: 2934100090
• European Community (EC) Number: 858-010-3
• DSSTox Substance ID: DTXSID00389342
• Wikidata: Q72508691
• Mol file: 23056-10-2.mol

Synonyms:5-thiocyanatothiazol-2-amine;23056-10-2;5-Thiocyanato-thiazol-2-ylamine;(2-amino-1,3-thiazol-5-yl) thiocyanate;Thiocyanic acid, 2-amino-5-thiazolyl ester;[(2-amino-1,3-thiazol-5-yl)sulfanyl]formonitrile;2-Amino-5-thiocyanothiazole;BAS 00492023;5-thiocyano-2-aminothiazole;2-amino-5-thiocyanatothiazole;5-thiocyanato-2-aminothiazole;SCHEMBL737078;2-amino-5-thiocyanato-thiazole;AMY2819;DTXSID00389342;HUMARXMRTXDPPK-UHFFFAOYSA-N;BCP09864;YAA05610;MFCD00727980;5-THIOCYANATOTHIAZOL-2-YLAMINE;AKOS003615438;CS-W004215;DS-4934;2-amino-1,3-thiazol-5-yl thiocyanate;FT-0653704;EN300-211776;F14532;A816532;2-Amino-1,3-thiazol-5-yl thiocyanate, AldrichCPR

Chemical Property of 5-Thiocyanatothiazol-2-amine

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Melting Point: 145 °C (decomp)
• Refractive Index: 1.701
• Boiling Point: 369.6°C at 760 mmHg
• PKA: 2.52±0.10(Predicted)
• Flash Point: 177.3°C
• PSA: 116.24000
• Density: 1.56g/cm³
• LogP: 1.87968
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 156.97683946
• Heavy Atom Count: 9
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

5-thiocyanatothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(SC(=N1)N)SC#N

Technology Process of 5-Thiocyanatothiazol-2-amine

There total 8 articles about 5-Thiocyanatothiazol-2-amine 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: 70.0%

potassium thioacyanate (333-20-0) + 5-bromothiazol-2-amine hydrobromide (61296-22-8) → 2-amino-5-thiocyanatothiazole (23056-10-2)

Guidance literature:

In methanol; at 20 ℃; for 48h;

Reference yield: 55.0%

2-thiazolylamine (96-50-4) + sodium thiocyanide (540-72-7) → 2-amino-5-thiocyanatothiazole (23056-10-2)

Guidance literature:

2-thiazolylamine; sodium thiocyanide; With bromine; sodium bromide; In methanol; at -10 - 0 ℃; for 3h;

With ammonia; In methanol; water; pH=8.5;

Reference yield: 30.0%

2-thiazolylamine (96-50-4) + 1-thiocyanatopyrrolidine-2,5-dione (163276-49-1) → 2-amino-5-thiocyanatothiazole (23056-10-2)

Guidance literature:

at 20 ℃; for 3h; chemoselective reaction;

DOI:10.1055/s-0037-1609553

upstream raw materials:

2-thiazolylamine

ammonium thiocyanate

potassium thioacyanate

5-bromothiazol-2-amine hydrobromide

Downstream raw materials:

1,1-dicyclohexyl-3-(5-thiocyanatothiazol-2-yl)urea

2-acetamino-5-thiocyanatothiazole

5-(2-amino-thiazol-5-ylsulfanylmethyl)-2,3-dimethyl-benzoic acid methyl ester

2-amino-5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-thiazole