1-Phenyl-3-guanylthiourea

Base Information

• Chemical Name: 1-Phenyl-3-guanylthiourea
• CAS No.: 15989-47-6
• Molecular Formula: C8H10 N4 S
• Molecular Weight: 194.26
• European Community (EC) Number: 679-677-5
• DSSTox Substance ID: DTXSID70409223
• Nikkaji Number: J534.148E
• NSC Number: 229302
• Mol file: 15989-47-6.mol

Synonyms:1-Phenyl-3-guanylthiourea;15989-47-6;1-(diaminomethylidene)-3-phenylthiourea;1-amidino-3-phenylthiourea;1-Carbamimidoyl-3-phenylthiourea;NSC229302;SCHEMBL3421577;DTXSID70409223;IKGVILAOZDBXSV-UHFFFAOYSA-N;MFCD00191480;NSC-229302;3-(diaminomethylidene)-1-phenylthiourea;P1167;T71865;[({[Amino(imino)methyl]amino}carbothioyl)amino]benzene, AldrichCPR

Chemical Property of 1-Phenyl-3-guanylthiourea

Chemical Property:

• Vapor Pressure: 1.72E-05mmHg at 25°C
• Melting Point: 169°C
• Boiling Point: 364.2°C at 760 mmHg
• Flash Point: 174°C
• PSA: 106.02000
• Density: 1.34g/cm³
• LogP: 2.13040
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.06261751
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenyl-3-guanylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)N=C(N)N
• Uses: 1-Phenyl-3-guanylthiourea is used as a secondary accelerator for the vulcanisation of natural rubber.

Technology Process of 1-Phenyl-3-guanylthiourea

There total 12 articles about 1-Phenyl-3-guanylthiourea 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: 80.0%

3,5-dimethyl-N-(phenyl-thiocarbamoyl)-pyrazole-1-carboximidic acid amide (108754-33-2) → 1-Diaminomethylene-3-phenyl-thiourea (15989-47-6)

Guidance literature:

With ammonia; at 50 - 60 ℃;

DOI:10.1080/00397919708005648

Reference yield: 74.0%

phenyl isothiocyanate (103-72-0) + guanidine nitrate (113-00-8) → 1-phenyl-3-guanylthiourea (15989-47-6)

Guidance literature:

In tetrachloromethane; for 2h; Heating;

Reference yield: 72.0%

guanidine hydrochloride (50-01-1) + phenyl isothiocyanate (103-72-0) → 1-phenyl-3-guanylthiourea (15989-47-6)

Guidance literature:

With sodium hydroxide; for 2h; Reflux;

upstream raw materials:

guanidinium thiocyanate

ethanol

diguanidine carbonate

phenyl isothiocyanate

Downstream raw materials:

1,4-diphenylthiosemicarbazide

carbon dioxide

hydrogen sulfide

guanidine nitrate

Refernces

• 1、 Wang, Bingnan,Meng, Yinggao,Zhou, Yiming,Ren, Linning,Wu, Jie,Yu, Wenquan,Chang, Junbiao. "Synthesis of 5-Amino and 3,5-Diamino Substituted 1,2,4-Thiadiazoles by I2-Mediated Oxidative N-S Bond Formation". . p. 5898 - 5903. Retrieved 2017/06/07.
• 2、 -. "NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS". Page/Page column 12; 13. . Retrieved 2016/06/15.