4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide

Base Information

• Chemical Name: 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide
• CAS No.: 70619-50-0
• Molecular Formula: C10H13 N3 O2 S
• Molecular Weight: 239.298
• Hs Code.: 2930909090
• European Community (EC) Number: 674-208-0
• DSSTox Substance ID: DTXSID40384952
• Wikidata: Q82177443
• ChEMBL ID: CHEMBL1502639
• Mol file: 70619-50-0.mol

Synonyms:4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide;70619-50-0;ethyl 4-(aminocarbamothioylamino)benzoate;ethyl 4-[(aminocarbamothioyl)amino]benzoate;MLS000689336;ethyl 4-[(hydrazinocarbonothioyl)amino]benzoate;SMR000311135;Ethyl 4-[(hydrazinecarbothioyl)amino]benzoate;Maybridge1_005267;ethyl 4-[(hydrazinylcarbonothioyl)amino]benzoate;Oprea1_751956;CHEMBL1502639;BDBM57784;cid_2823865;HMS556H09;DTXSID40384952;HMS2728J06;MFCD00079754;STL134623;AKOS002130998;CCG-249264;BS-29329;ethyl 4-(azanylcarbamothioylamino)benzoate;CS-0213309;FT-0682085;A836939;SR-01000102659;4-(aminothiocarbamoylamino)benzoic acid ethyl ester;SR-01000102659-1;Benzoic acid,4-[(hydrazinylthioxomethyl)amino]-,ethyl ester;4-[[hydrazinyl(sulfanylidene)methyl]amino]benzoic acid ethyl ester

Chemical Property of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 6.24E-06mmHg at 25°C
• Melting Point: 135-137°C
• Boiling Point: 378.5°C at 760 mmHg
• Flash Point: 182.7°C
• PSA: 108.47000
• Density: 1.323g/cm³
• LogP: 2.18760
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 239.07284784
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide

There total 3 articles about 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide 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:

carbon disulfide (75-15-0,12122-00-8) + p-aminoethylbenzoate (94-09-7) → 4-hydrazinothiocarbonylamino-benzoic acid ethyl ester (70619-50-0)

Guidance literature:

carbon disulfide; p-aminoethylbenzoate; With potassium hydroxide; In tetrahydrofuran;

With hydrazine hydrate;

DOI:10.1016/j.ejps.2003.08.002

Reference yield:

4-ethoxycarbonylphenyl isothiocyanate (1205-06-7) → 4-hydrazinothiocarbonylamino-benzoic acid ethyl ester (70619-50-0)

Guidance literature:

With hydrazine;

DOI:10.1021/jm00193a020

Reference yield:

→ 4-hydrazinothiocarbonylamino-benzoic acid ethyl ester (70619-50-0)

Guidance literature:

4-Ethoxycarbonyl-phenylisothiocyanat, N2H4*H2O, wss. A. ;

upstream raw materials:

4-ethoxycarbonylphenyl isothiocyanate

carbon disulfide

p-aminoethylbenzoate

Downstream raw materials:

4-[1,2,3,4]thiatriazol-5-ylamino-benzoic acid ethyl ester

C₁₇H₁₅N₃O₃

C₂₀H₁₆N₄O₄S