N-(3-bromophenyl)hydrazinecarbothioamide

Base Information

• Chemical Name: N-(3-bromophenyl)hydrazinecarbothioamide
• CAS No.: 116567-17-0
• Molecular Formula: C7H8 Br N3 S
• Molecular Weight: 246.131
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90427702
• Wikidata: Q82240366
• ChEMBL ID: CHEMBL3286595
• Mol file: 116567-17-0.mol

Synonyms:N-(3-bromophenyl)hydrazinecarbothioamide;116567-17-0;1-amino-3-(3-bromophenyl)thiourea;3-amino-1-(3-bromophenyl)thiourea;CHEMBL3286595;SCHEMBL6153945;DTXSID90427702;BDBM50019762;AKOS009038702;NCGC00339801-01;CS-0234932;Hydrazinecarbothioamide, N-(3-bromophenyl)-;EN300-15009;AB01333475-02;Z111871260

Chemical Property of N-(3-bromophenyl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0.000135mmHg at 25°C
• Melting Point: 141-142 °C
• Boiling Point: 333.7°Cat760mmHg
• PKA: 10.26±0.70(Predicted)
• Flash Point: 155.6°C
• PSA: 89.21000
• Density: 1.726g/cm³
• LogP: 2.92090
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.96223
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-1-(3-bromophenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)NC(=S)NN

Technology Process of N-(3-bromophenyl)hydrazinecarbothioamide

There total 5 articles about N-(3-bromophenyl)hydrazinecarbothioamide 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: 88.0%

3-bromophenyl isothiocyanate (2131-59-1) → N-(3-bromophenyl)hydrazinecarbothioamide (116567-17-0)

Guidance literature:

With hydrazine; In water; isopropyl alcohol; at 20 ℃; for 0.5h;

DOI:10.1021/jm9014394

Reference yield: 73.9%

→ N-(3-bromophenyl)hydrazinecarbothioamide (116567-17-0)

Guidance literature:

With hydrazine hydrate; In methanol; water; at 70 ℃; for 5h;

Reference yield:

m-Bromoaniline (591-19-5) → N-(3-bromophenyl)hydrazinecarbothioamide (116567-17-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ammonia / ethanol / 15 - 20 °C

2.1: sodium monochloroacetic acid

2.2: 4 h / 60 °C

With ammonia; sodium monochloroacetic acid; In ethanol;

DOI:10.1016/j.cclet.2010.10.020

upstream raw materials:

3-bromophenyl isothiocyanate

(3-bromo-phenyl)-dithiocarbamic acid

m-Bromoaniline

Downstream raw materials:

(3-bromo-phenyl)-(5-methyl-[1,3,4]thiadiazol-2-yl)-amine

(3-bromo-phenyl)-[1,3,4]thiadiazol-2-yl-amine

5-methyl-1H-indole-2,3-dione 3-[N-(3-bromophenyl)thiosemicarbazone]

1,5-dimethyl-1H-indole-2,3-dione 3-[N-(3-bromophenyl)thiosemicarbazone]