4-(4-Ethylphenyl)-3-thiosemicarbazide

Base Information

• Chemical Name: 4-(4-Ethylphenyl)-3-thiosemicarbazide
• CAS No.: 93693-01-7
• Molecular Formula: C9H13 N3 S
• Molecular Weight: 195.288
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10390747
• Wikidata: Q82187747
• Mol file: 93693-01-7.mol

Synonyms:4-(4-Ethylphenyl)-3-thiosemicarbazide;93693-01-7;1-amino-3-(4-ethylphenyl)thiourea;N-(4-ethylphenyl)hydrazinecarbothioamide;HMS1510E09;ChemDiv3_013121;SCHEMBL456128;DTXSID10390747;4-(4-ethylphenyl)thiosemicarbazide;AKOS002130557;3-AMINO-1-(4-ETHYLPHENYL)THIOUREA;FT-0616619;BRD-K67920105-001-01-6

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

Chemical Property:

• Vapor Pressure: 0.000465mmHg at 25°C
• Melting Point: 128-131°C
• Refractive Index: 1.675
• Boiling Point: 314.5°Cat760mmHg
• Flash Point: 144°C
• PSA: 82.17000
• Density: 1.226g/cm³
• LogP: 2.57330
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 195.08301860
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

4-(4-ETHYLPHENYL)-3-THIOSEMICARBAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R25:Toxic if swallowed.
• Hazard Codes: R25:Toxic if swallowed.
• Statements: 25
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)NC(=S)NN

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

There total 4 articles about 4-(4-Ethylphenyl)-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: 88.0%

(4-ethylphenyl)isothiocyanate (18856-63-8) → N-(4-ethylphenyl)hydrazinecarbothioamide (93693-01-7)

Guidance literature:

With hydrazine hydrate; In ethanol; Cooling with ice;

DOI:10.1016/j.bioorg.2020.104202

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 4-aminoethylbenzene (589-16-2) → N-(4-ethylphenyl)hydrazinecarbothioamide (93693-01-7)

Guidance literature:

carbon disulfide; 4-aminoethylbenzene; With ammonia; In ethanol; at 30 ℃; for 2h;

With sodium monochloroacetic acid; In ethanol; for 1h; Reflux;

With hydrazine hydrate; In ethanol; water; for 2h; Reflux;

Reference yield:

C14H21N3O2S (437736-37-3) → N-(4-ethylphenyl)hydrazinecarbothioamide (93693-01-7)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1021/jm2006047

upstream raw materials:

(4-ethylphenyl)isothiocyanate

C₁₄H₂₁N₃O₂S

carbon disulfide

4-aminoethylbenzene

Downstream raw materials:

(Z)-N-(4-ethylphenyl)-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide

N-(4-ethylphenyl)-2-[2-oxo-5-(trifluoromethoxy)-1,2-dihydro-3H-indol-3-ylidene]-1-hydrazinecarbothioamide

N-(4-ethylphenyl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-1-hydrazinecarbothioamide

2-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-(4-ethylphenyl)-1-hydrazinecarbothioamide