1-Methyl-3-phenylthiourea

Base Information

• Chemical Name: 1-Methyl-3-phenylthiourea
• CAS No.: 2724-69-8
• Molecular Formula: C8H10 N2 S
• Molecular Weight: 166.247
• Hs Code.: 2930909090
• European Community (EC) Number: 636-650-2
• NSC Number: 3736
• DSSTox Substance ID: DTXSID7062611
• Nikkaji Number: J36.566A
• ChEMBL ID: CHEMBL1910056
• Mol file: 2724-69-8.mol

Synonyms:1-METHYL-3-PHENYLTHIOUREA;2724-69-8;1-Methyl-3-phenyl-2-thiourea;N-Methyl-N'-phenylthiourea;1-Phenyl-3-methylthiourea;Thiourea, N-methyl-N'-phenyl-;Urea, 1-methyl-3-phenyl-2-thio-;1-Methyl-3-phenylthiocarbamide;3-methyl-1-phenylthiourea;N-Methyl-N'-phenyl thiourea;NSC 3736;BRN 0638006;CHEMBL1910056;3-12-00-00853 (Beilstein Handbook Reference);1-Methyl-3-phenyl thiourea;NSC3736;(methylamino)(phenylamino)methane-1-thione;WLN: SUYM1&MR;n-phenyl-n'-methylthiourea;N'-methyl-N-phenylthiourea;1-Methyl-3-phenyl-thiourea;N-phenyl-N'-methyl-thiourea;1-methyl-3-phenyl-isothiourea;SCHEMBL1276402;DTXSID7062611;HMS1662D04;CAA72469;NSC-3736;BBL023221;BDBM50356173;MFCD00022130;STL357626;AKOS000430964;FS-4776;LS-160517;CS-0308651;FT-0634458;M2786;T72207;EN300-1265798;A818973;J-016711;Z45796176;F1995-0258

Chemical Property of 1-Methyl-3-phenylthiourea

Chemical Property:

• Vapor Pressure: 0.0257mmHg at 25°C
• Melting Point: 113°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 247.4°Cat760mmHg
• PKA: 13.42±0.70(Predicted)
• Flash Point: 103.4°C
• PSA: 56.15000
• Density: 1.194g/cm³
• LogP: 2.06670
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 166.05646950
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

1-Methyl-3-phenylthiourea >97.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC(=S)NC1=CC=CC=C1

Technology Process of 1-Methyl-3-phenylthiourea

There total 26 articles about 1-Methyl-3-phenylthiourea 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: 99.0%

phenyl isothiocyanate (103-72-0) + methylamine (74-89-5) → 1-methyl-3-phenylthiourea (2724-69-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 3h;

DOI:10.1002/chem.201102097

Reference yield: 96.0%

methylamine hydrochloride (593-51-1) + phenyl isothiocyanate (103-72-0) → 1-methyl-3-phenylthiourea (2724-69-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 5h;

Reference yield: 94.0%

aniline (62-53-3) + methylamine (74-89-5) + 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide → 1-methyl-3-phenylthiourea (2724-69-8)

Guidance literature:

aniline; 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide; In ethanol; Heating;

methylamine; In ethanol; for 2.5h;

DOI:10.1016/S0040-4020(99)01026-1

upstream raw materials:

methylamine hydrochloride

phenyl isothiocyanate

methyl thioisocyanate

aniline

Downstream raw materials:

N-(3-methyl-4-phenylthiazol-2(3H)-ylidene)phenylamine

N,S-dimethyl-N'-phenylisothiourea

5-benzylidene-3-methyl-2-phenylimino-thiazolidin-4-one

3-methyl-5-phenyl-[1,3,5]thiadiazinane-4-thione

Refernces

• 1、 Itoh et al.. "-". . p. 2667. Retrieved 1967.
• 2、 Dekker, Frank J.,Quax, Wim J.,Voet, Julian M.,Wibowo, Joko P.,Xiao, Zhangping. "Development of phenylthiourea derivatives as allosteric inhibitors of pyoverdine maturation enzyme PvdP tyrosinase". supporting information. . Retrieved 2020/07/21.
• 3、 Yuan, Wen-Kui,Liu, Yan Fang,Lan, Zhenggang,Wen, Li-Rong,Li, Ming. "Nickle Catalysis Enables Access to Thiazolidines from Thioureas via Oxidative Double Isocyanide Insertion Reactions". supporting information. p. 7158 - 7162. Retrieved 2018/11/25.