Semicarbazide, 4-allyl-1-phenyl-3-thio-

Base Information

• Chemical Name: Semicarbazide, 4-allyl-1-phenyl-3-thio-
• CAS No.: 27421-87-0
• Molecular Formula: C10H13 N3 S
• Molecular Weight: 207.299
• NSC Number: 81864
• DSSTox Substance ID: DTXSID80181841

Synonyms:Semicarbazide, 4-allyl-1-phenyl-3-thio-;27421-87-0;4-Allyl-1-phenyl-3-thiosemicarbazide;BRN 1075450;Hydrazinecarbothioamide, 2-phenyl-N-2-propenyl-;2-15-00-00110 (Beilstein Handbook Reference);1-(PHENYLAMINO)-3-(PROP-2-EN-1-YL)THIOUREA;NSC81864;NCIOpen2_004464;2-phenyl-N-(prop-2-en-1-yl)hydrazinecarbothioamide;DTXSID80181841;AUM120449;NSC 81864;NSC-81864;STK395002;AKOS003267193;LS-144852

Chemical Property of Semicarbazide, 4-allyl-1-phenyl-3-thio-

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Boiling Point: 302°Cat760mmHg
• Flash Point: 136.4°C
• Density: 1.177g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 207.08301860
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC(=S)NNC1=CC=CC=C1

Technology Process of Semicarbazide, 4-allyl-1-phenyl-3-thio-

There total 4 articles about Semicarbazide, 4-allyl-1-phenyl-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: 57.0%

phenylhydrazine (100-63-0) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 1-phenyl-4-allyl-3-thiosemicarbazide (27421-87-0)

Guidance literature:

In diethyl ether; for 0.25h;

DOI:10.1016/j.molstruc.2003.08.017

Reference yield:

methyl 2-phenylhydrazinecarbodithioate (50878-38-1) + 1-amino-2-propene (107-11-9,30551-89-4) → 1-phenyl-4-allyl-3-thiosemicarbazide (27421-87-0)

Guidance literature:

Reference yield:

phenylhydrazine (100-63-0) + N-allyl isothiocyanate (57-06-7,58391-87-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-phenyl-4-allyl-3-thiosemicarbazide (27421-87-0)

Guidance literature:

upstream raw materials:

phenylhydrazine

N-allyl isothiocyanate

benzene

methyl 2-phenylhydrazinecarbodithioate

Downstream raw materials:

[3-Allyl-4-oxo-2-(phenyl-hydrazono)-thiazolidin-(5Z)-ylidene]-acetic acid methyl ester

4-allyl-5-(1-amino-2,2-dicyanovinyl)-1-phenyl-4H-1,2,4-triazol-1-ium-3-thiolate

5-allylamino-3-phenyl-3H-[1,3,4]thiadiazol-2-one

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