Hydrazinecarbothioamide, 1-(2-phenylethyl)-

Base Information

• Chemical Name: Hydrazinecarbothioamide, 1-(2-phenylethyl)-
• CAS No.: 3473-12-9
• Molecular Formula: C9H13N3S
• Molecular Weight: 195.288
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50188281
• Nikkaji Number: J54.313F
• Mol file: 3473-12-9.mol

Synonyms:2-Phenethyl-3-thiosemicarbazide;3473-12-9;Hydrazinecarbothioamide, 1-(2-phenylethyl)-;Semicarbazide, 2-phenethyl-3-thio-;BRN 3092698;1-Phenethylhydrazinecarbothioamide;SCHEMBL1968538;DTXSID50188281;OFVVGJWDNOEMQE-UHFFFAOYSA-N;LS-144899;Hydrazinecarbothioamide, 1-(2-phenylethyl)- (9CI)

Chemical Property of Hydrazinecarbothioamide, 1-(2-phenylethyl)-

Chemical Property:

• Vapor Pressure: 3.06E-05mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 355.8°Cat760mmHg
• Flash Point: 169°C
• PSA: 91.91000
• Density: 1.233g/cm³
• LogP: 2.06940
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 195.08301860
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

2-PHENETHYL-3-THIOSEMICARBAZIDE 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)CCN(C(=S)N)N

Technology Process of Hydrazinecarbothioamide, 1-(2-phenylethyl)-

There total 4 articles about Hydrazinecarbothioamide, 1-(2-phenylethyl)- 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: 16.0%

ammonium thiocyanate + 2-phenethylhydrazine sulfate (156-51-4) → 1-phenethylhydrazinecarbothioamide (3473-12-9)

Guidance literature:

In ethanol; at 78 ℃; for 50h;

Reference yield:

ammonium thiocyanate (1147550-11-5) + Phenelzine (51-71-8) → 1-phenethylhydrazinecarbothioamide (3473-12-9)

Guidance literature:

In ethanol; at 20 ℃;

DOI:10.1021/acs.jmedchem.5b00482

Reference yield:

potassium thioacyanate (333-20-0) + [2-(phenyl)ethyl]hydrazine hydrochloride (5470-36-0,16904-30-6,77430-25-2) → 1-phenethylhydrazinecarbothioamide (3473-12-9)

Guidance literature:

Multistep reaction; (i) H₂O, (ii) (heating);

upstream raw materials:

potassium thioacyanate

[2-(phenyl)ethyl]hydrazine hydrochloride

bromocyane

Phenelzine

Downstream raw materials:

6-hydroxy-2-phenethyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one

methyl 2-(2-carbamothioyl-2-phenethylhydrazinyl)-2-oxoacetate