1H-Indazole-3-carbothioamide

Base Information

• Chemical Name: 1H-Indazole-3-carbothioamide
• CAS No.: 28751-69-1
• Molecular Formula: C8H7N3S
• Molecular Weight: 177.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20482980
• Mol file: 28751-69-1.mol

Synonyms:1H-Indazole-3-carbothioamide;28751-69-1;indazolyl-3-thioformamide;SCHEMBL2310989;SCHEMBL9388083;DTXSID20482980;AKOS015967695;A5426;CS-0236130;FT-0604104;EN300-1692732

Chemical Property of 1H-Indazole-3-carbothioamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 216-217 °C
• Refractive Index: 1.773
• Boiling Point: 352.618 °C at 760 mmHg
• PKA: 11.71±0.29(Predicted)
• Flash Point: 167.058 °C
• PSA: 86.79000
• Density: 1.488 g/cm³
• LogP: 1.89740
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.03606841
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

1H-INDAZOLE-3-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NN2)C(=S)N

Technology Process of 1H-Indazole-3-carbothioamide

There total 1 articles about 1H-Indazole-3-carbothioamide 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%

indazole-3-carbonitrile (50264-88-5) → 1H-indazole-3-carboximidothioic acid (28751-69-1)

Guidance literature:

With hydrogen sulfide; triethylamine; In pyridine; at -78 - 20 ℃;

Reference yield: 58.0%

1H-indazole-3-carboximidothioic acid (28751-69-1) + 2-bromo-1-(4-bromophenyl)propan-1-one (38786-67-3) → 3-[4-(4-bromo-phenyl)-5-methyl-thiazol-2-yl]-1H-indazole (847906-28-9)

Guidance literature:

In methanol; at 50 ℃; for 20h;

Reference yield: 5.0%

bromo-phenyl-acetic acid methyl ester (37167-62-7,3042-81-7,61139-20-6) + 1H-indazole-3-carboximidothioic acid (28751-69-1) → 2-(1H-indazol-3-yl)-5-phenyl-thiazol-4-ol (847906-29-0)

Guidance literature:

With sodium hydrogencarbonate; In methanol;

upstream raw materials:

indazole-3-carbonitrile

Downstream raw materials:

3-[4-(4-bromo-phenyl)-5-methyl-thiazol-2-yl]-1H-indazole

2-(1H-indazol-3-yl)-5-phenyl-thiazol-4-ol

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