3-[(Hydrazinocarbonothioyl)amino]benzoic acid

Base Information

• Chemical Name: 3-[(Hydrazinocarbonothioyl)amino]benzoic acid
• CAS No.: 88114-33-4
• Molecular Formula: C8H9N3O2S
• Molecular Weight: 211.24100
• DSSTox Substance ID: DTXSID50530342
• Wikidata: Q82401409
• Mol file: 88114-33-4.mol

Synonyms:3-[(hydrazinocarbonothioyl)amino]benzoic acid;88114-33-4;3-(aminocarbamothioylamino)benzoic acid;3-[(aminocarbamothioyl)amino]benzoic acid;3-(Hydrazinecarbothioamido)benzoic acid;SCHEMBL5361111;DTXSID50530342;NURGLFIQOUIBTI-UHFFFAOYSA-N;MFCD11696452;3-(Hydrazinecarbothioamido)benzoicacid;AKOS002657271;4-(3-carboxyphenyl)-3-thiosemicarbazide;LS-01489;3-[(Hydrazinecarbothioyl)amino]benzoic acid;3-[(hydrazinothioxomethyl)amino]benzoic acid;CS-0359615

Chemical Property of 3-[(Hydrazinocarbonothioyl)amino]benzoic acid

Chemical Property:

• PSA: 126.51000
• LogP: 1.85660
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 211.04154771
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

3-[(Hydrazinocarbonothioyl)amino]benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-[(Hydrazinocarbonothioyl)amino]benzoic acid

There total 2 articles about 3-[(Hydrazinocarbonothioyl)amino]benzoic acid 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:

3-(N'-methyl-thioureido)-benzoic acid (36639-87-9) → 3-Carboxyphenylthiosemicarbazide (88114-33-4)

Guidance literature:

With sodium hydroxide; 2-methoxy-ethanol; hydrazine hydrate;

Reference yield:

→ 3-Carboxyphenylthiosemicarbazide (88114-33-4)

Guidance literature:

3-Amino-benzoesaeure, 1. A., konz. wss. Ammoniak, Schwefelkohlenstoff, 2. Monochlor-essigsaeure-Na-Salz, W., 3. Hydrazinhydrat;

Reference yield:

2-hydroxy-3-(1'-naphthalenyl)benzaldehyde (14562-14-2) + 3-Carboxyphenylthiosemicarbazide (88114-33-4) → C25H19N3O3S

Guidance literature:

With 4 A molecular sieve; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm025535c

upstream raw materials:

3-(N'-methyl-thioureido)-benzoic acid

Downstream raw materials:

3-(3'-Carboxyphenylthiosemicarbazono)-5-methyl-2-indolinone

3-(3'-Carboxyphenylthiosemicarbazono)-5-chloro-1-methyl-2-indolinone

3-(3'-Carboxyphenylthiosemicarbazono)-2-indolinone

3-(3'-Carboxyphenylthiosemicarbazono)-5-chloro-2-indolinone

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