Semicarbazide, 1-(o-aminobenzoyl)-3-thio-

Base Information

• Chemical Name: Semicarbazide, 1-(o-aminobenzoyl)-3-thio-
• CAS No.: 74037-19-7
• Molecular Formula: C₈H₁₀N₄OS
• Molecular Weight: 210.26
• DSSTox Substance ID: DTXSID40224844
• Nikkaji Number: J93.061J
• Wikidata: Q83103590
• Mol file: 74037-19-7.mol

Synonyms:Semicarbazide, 1-(o-aminobenzoyl)-3-thio-;74037-19-7;1-(o-Aminobenzoyl)-3-thiosemicarbazide;SCHEMBL7729391;DTXSID40224844;IVCHJJHRCCWAJB-UHFFFAOYSA-N;1-(2-aminobenzoyl)thiosemicarbazide;AHT101285;AKOS024379250;2-Amino-N-(thiocarbamoylamino)benzamide;LS-144854;2-AMINO-N-(CARBAMOTHIOYLAMINO)BENZAMIDE;Benzoic acid, 2-amino-, 2-(aminothioxomethyl)hydrazide

Chemical Property of Semicarbazide, 1-(o-aminobenzoyl)-3-thio-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 133.29000
• Density: 1.406g/cm³
• LogP: 2.01440
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.05753213
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

1-(ORTHO-AMINOBENZOYL)-3-THIO-SEMICARBAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NNC(=S)N)N

Technology Process of Semicarbazide, 1-(o-aminobenzoyl)-3-thio-

There total 2 articles about Semicarbazide, 1-(o-aminobenzoyl)-3-thio- 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:

2-ethoxycarbonylaniline (87-25-2) → N2-(2-aminobenzoyl)thiosemicarbazide (74037-19-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / 20 h / 90 °C

2: hydrogenchloride / ethanol / 14 h / 80 °C

With hydrogenchloride; hydrazine hydrate; In ethanol;

DOI:10.13005/ojc/320528

Reference yield:

isatoic anhydride (118-48-9) + thiosemicarbazide (79-19-6) → N2-(2-aminobenzoyl)thiosemicarbazide (74037-19-7)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield:

N2-(2-aminobenzoyl)thiosemicarbazide (74037-19-7) → 5-(2'-aminophenyl)-1,3,4-thiadiazole-2-S-glucoside

Guidance literature:

Multi-step reaction with 2 steps

1: carbon disulfide; potassium hydroxide / ethanol / 5 h / 75 - 80 °C

2: hydrogenchloride / ethanol / 80 °C

With hydrogenchloride; carbon disulfide; potassium hydroxide; In ethanol;

DOI:10.13005/ojc/320528

upstream raw materials:

isatoic anhydride

thiosemicarbazide

2-ethoxycarbonylaniline