1-Allyl-3-phenyl-2-thiourea

Base Information

• Chemical Name: 1-Allyl-3-phenyl-2-thiourea
• CAS No.: 7341-63-1
• Molecular Formula: C10H12N2S
• Molecular Weight: 192.285
• Hs Code.: 2930909090
• European Community (EC) Number: 230-855-7
• NSC Number: 403848
• UNII: ZTB8U3S86E
• DSSTox Substance ID: DTXSID80223639
• Nikkaji Number: J49.061J
• ChEMBL ID: CHEMBL1328831
• Mol file: 7341-63-1.mol

Synonyms:1-Allyl-3-phenyl-2-thiourea;N-Allyl-N'-phenylthiourea;7341-63-1;1-Allyl-3-phenylthiourea;Allyl phenyl thiourea;Urea, 1-allyl-3-phenyl-2-thio-;Thiourea, N-phenyl-N'-2-propenyl-;1-Allyl-3-phenyl-thiourea;EINECS 230-855-7;NSC 403848;1-phenyl-3-(prop-2-en-1-yl)thiourea;AI3-00992;NSC-403848;1-phenyl-3-prop-2-enylthiourea;NSC403848;WLN: SUYMR&M2U1;ZTB8U3S86E;MLS000555346;SCHEMBL1647857;N-phenyl-N'-2-propenylthiourea;CHEMBL1328831;SCHEMBL10790267;DTXSID80223639;HMS1607N09;HMS2473G17;1-phenyl-3-prop-2-en-1-ylthiourea;MFCD00022125;N-Phenyl-N'-2-propen-1-ylthiourea;STK873793;AKOS000575172;NCGC00245455-01;Thiourea, N-phenyl-N'-2-propen-1-yl-;SMR000173760;UPCMLD0ENAT0512-4613:001;LS-158796;CS-0355872;8E-903;AB00037013-01;SR-01000390891;SR-01000390891-1;Z45796175;27177-32-8

Chemical Property of 1-Allyl-3-phenyl-2-thiourea

Chemical Property:

• Vapor Pressure: 0.00342mmHg at 25°C
• Melting Point: 101.85°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 282.1°Cat760mmHg
• Flash Point: 124.4°C
• PSA: 56.15000
• Density: 1.149g/cm³
• LogP: 2.62290
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 192.07211956
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

1-ALLYL-3-PHENYL-2-THIOUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC(=S)NC1=CC=CC=C1

Technology Process of 1-Allyl-3-phenyl-2-thiourea

There total 13 articles about 1-Allyl-3-phenyl-2-thiourea 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: 100.0%

phenyl isothiocyanate (103-72-0) + 1-amino-2-propene (107-11-9,30551-89-4) → 1-allyl-3-phenyl-thiourea (7341-63-1)

Guidance literature:

In acetonitrile; at 20 ℃; for 3h;

DOI:10.1002/chem.201102097

Reference yield: 94.0%

aniline (62-53-3) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 1-allyl-3-phenyl-thiourea (7341-63-1)

Guidance literature:

With triethylamine; In diethyl ether; for 4h; Ambient temperature;

DOI:10.1016/S0040-4020(01)88517-3

Reference yield: 86.0%

diethyl 1-[(prop-2-en-1-ylcarbamothioyl)sulfanyl]hydrazine-1,2-dicarboxylate + aniline (62-53-3) → 1-allyl-3-phenyl-thiourea (7341-63-1)

Guidance literature:

With diethylazodicarboxylate; at 90 ℃; for 0.5h;

DOI:10.1016/j.tet.2018.02.049

upstream raw materials:

phenyl isothiocyanate

1-amino-2-propene

aniline

N-allyl isothiocyanate

Downstream raw materials:

N'-allyl-N-benzoyl-N-phenyl-thiourea

5-methyl-N-phenyl-4,5-dihydrothiazol-2-amine

1-allyl-3-phenylurea

phenylallylcarbodiimide

Refernces

• 1、 Kut, Mykola,Fizer, Maksym,Onysko, Mikhajlo,Lendel, Vasil. "Reactions of N-alkenyl Thioureas with p-alkoxyphenyltellurium Trichlorides". . p. 2284 - 2290. Retrieved 2018/09/06.
• 2、 Khare,Sharma,Sharma. "Synthesis, characterization, and antibacterial activity of some thiazoles derived from allyl thioureas". . p. 702 - 707. Retrieved 2016/06/01.