Thiourea, N-(2-hydroxyphenyl)-N'-phenyl-

Base Information

• Chemical Name: Thiourea, N-(2-hydroxyphenyl)-N'-phenyl-
• CAS No.: 17073-34-6
• Molecular Formula: C13H12N2OS
• Molecular Weight: 244.317
• Hs Code.: 2930909090
• NSC Number: 140891
• DSSTox Substance ID: DTXSID20351566
• Nikkaji Number: J127.373F
• ChEMBL ID: CHEMBL414158
• Mol file: 17073-34-6.mol

Synonyms:1-(2-hydroxyphenyl)-3-phenylthiourea;17073-34-6;Thiourea, N-(2-hydroxyphenyl)-N'-phenyl-;Carbanilide, 2-hydroxythio-;N-(2-Hydroxyphenyl)-N'-phenylthiourea;N-(o-Hydroxyphenyl)-N'-phenylthiourea;N-Phenyl-N'-(o-hydroxyphenyl)thiourea;N-(2-hydroxyphenyl)-N/'-phenylthiourea;NSC140891;Oprea1_709433;CHEMBL414158;F1782-0007;SCHEMBL6820147;DTXSID20351566;CQOHACLBKAAZBM-UHFFFAOYSA-N;N-phenyl-N'-2-hydroxyphenylthiourea;N-Phenyl-N'-o-hydroxyphenylthiourea;MFCD00022111;STK099026;AKOS000487858;NSC-140891;N-(2-Hydroxyphenyl)-N'-phenylthiourea #

Chemical Property of Thiourea, N-(2-hydroxyphenyl)-N'-phenyl-

Chemical Property:

• Vapor Pressure: 2.65E-06mmHg at 25°C
• Melting Point: 123 °C
• Boiling Point: 379.6°Cat760mmHg
• PKA: 9.51±0.35(Predicted)
• Flash Point: 183.4°C
• PSA: 76.38000
• Density: 1.386g/cm³
• LogP: 3.34710
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 244.06703418
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

N-(2-hydroxyphenyl)-N'-phenylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2O

Technology Process of Thiourea, N-(2-hydroxyphenyl)-N'-phenyl-

There total 2 articles about Thiourea, N-(2-hydroxyphenyl)-N'-phenyl- 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%

phenyl isothiocyanate (103-72-0) + 2-amino-phenol (95-55-6) → N-(2-hydroxyphenyl)-N'-phenylthiourea (17073-34-6)

Guidance literature:

In ethanol; for 1h; Ambient temperature;

Reference yield:

2-aminophenol hydrochloride (51-19-4) + phenyl isothiocyanate (103-72-0) → N-(2-hydroxyphenyl)-N'-phenylthiourea (17073-34-6)

Guidance literature:

With sodium hydroxide; in der Kaelte;

Reference yield: 96.0%

N-(2-hydroxyphenyl)-N'-phenylthiourea (17073-34-6) → N-phenyl-1,3-benzoxazol-2-amine (6631-42-1)

Guidance literature:

With mutagenized vitreoscilla hemoglobin incorporating a cobalt porphyrin cofactor; air; In water; dimethyl sulfoxide; at 20 ℃; for 12h;

DOI:10.1039/d1gc02533c

upstream raw materials:

2-aminophenol hydrochloride

phenyl isothiocyanate

2-amino-phenol

Downstream raw materials:

N-phenyl-1,3-benzoxazol-2-amine

Refernces

• 1、 Li, Fengxi,Li, Zhengqiang,Su, Jiali,Wang, Chunyu,Wang, Ciduo,Wang, Lei,Xu, Yaning,Zhao, Nan. "Environment-friendly and efficient synthesis of 2-aminobenzo-xazoles and 2-aminobenzothiazoles catalyzed by: Vitreoscilla hemoglobin incorporating a cobalt porphyrin cofactor". . p. 8047 - 8052. Retrieved 2021/11/01.
• 2、 Duangkamol, Chuthamat,Pattarawarapan, Mookda,Phakhodee, Wong. "Potassium Periodate Mediated Oxidative Cyclodesulfurization toward Benzofused Nitrogen Heterocycles". . p. 1981 - 1990. Retrieved 2020/07/03.