[4-(Carbamothioylamino)phenyl]thiourea

Base Information

• Chemical Name: [4-(Carbamothioylamino)phenyl]thiourea
• CAS No.: 1519-70-6
• Molecular Formula: C8H10 N4 S2
• Molecular Weight: 226.326
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10164900
• Nikkaji Number: J567.252J
• Mol file: 1519-70-6.mol

Synonyms:1519-70-6;[4-(carbamothioylamino)phenyl]thiourea;1,4-Phenylenebis(2-thiourea);1,4-PHENYLENEBIS(THIOUREA);1,1'-(1,4-Phenylene)bis(thiourea);Urea, 1,1'-p-phenylenebis(2-thio-;BRN 2114854;1,1'-p-Phenylenebis(2-thiourea);Thiourea, N,N''-1,4-phenylenebis-;C8H10N4S2;1,1'-benzene-1,4-diylbis(thiourea);4-13-00-00166 (Beilstein Handbook Reference);1,4-PHENYLENEBIS;phenylenethiourea;YSZC587;SCHEMBL725810;(4-Thioureido-phenyl)-thiourea;1,1'-(p-Phenylene)bisthiourea;DTXSID10164900;1,1'-(1,4-phenylene)dithiourea;BAA51970;N,N''-1,4-Phenylenebis(thiourea);BBL008206;C8-H10-N4-S2;MFCD00022169;STK662560;AKOS000477320;N,N''''-1,4-Phenylenebis(thiourea);SB80187;VS-01859;LS-160638;CS-0170444;FT-0606923;N-{4-[(aminocarbothioyl)amino]phenyl}thiourea;D85873

Chemical Property of [4-(Carbamothioylamino)phenyl]thiourea

Chemical Property:

• Vapor Pressure: 9E-07mmHg at 25°C
• Melting Point: 219-220°C (dec.)
• Boiling Point: 405.1°Cat760mmHg
• PKA: 12.57±0.70(Predicted)
• Flash Point: 198.8°C
• PSA: 140.28000
• Density: 1.553g/cm³
• LogP: 2.54420
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.03468868
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

98%min ^*data from raw suppliers

1,4-Phenylenebis(2-thiourea) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)N)NC(=S)N

Technology Process of [4-(Carbamothioylamino)phenyl]thiourea

There total 14 articles about [4-(Carbamothioylamino)phenyl]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: 99.0%

N,N’-bis(benzotriazole-1-thiocarbamoyl)-1,4-phenylenediamine → N,N'-bis(thiocarbamoyl)-1,4-phenylenediamine (1519-70-6)

Guidance literature:

With sodium carbonate; ammonium chloride; In neat (no solvent); for 1h; Milling; Green chemistry;

DOI:10.1039/c6gc00089d

Reference yield: 93.43%

ammonium thiocyanate (1147550-11-5) + 1,4-phenylenediamine (106-50-3) → N,N'-bis(thiocarbamoyl)-1,4-phenylenediamine (1519-70-6)

Guidance literature:

1,4-phenylenediamine; With hydrogenchloride; In water; at 50 ℃;

ammonium thiocyanate; In water; at 90 - 100 ℃;

DOI:10.1016/j.jphotochem.2019.112190

Reference yield:

ammonium thiocyanate + 1,4-phenylenediamine (106-50-3) → N,N'-bis(thiocarbamoyl)-1,4-phenylenediamine (1519-70-6)

Guidance literature:

With hydrogenchloride; In water; at 80 - 90 ℃; for 24h;

upstream raw materials:

1 ,4-phenylenediisothiocyanate

potassium thioacyanate

p-phenylenediamine hydrochloride

ammonium thiocyanate

Downstream raw materials:

2,5-diaminobenzene-1,4-dithiol bis(hydrochloride)

5-bromo-5-[bromo-(4-hydroxy-3-methoxy-phenyl)-methyl]-2,2'-p-phenylenediamino-bis-thiazol-4-one

5-bromo-5-[bromo-(4-chloro-phenyl)-methyl]-2,2'-p-phenylenediamino-bis-thiazol-4-one

5-bromo-5-[bromo-(2-hydroxy-phenyl)-methyl]-2,2'-p-phenylenediamino-bis-thiazol-4-one

Refernces

• 1、 Dud, Mateja,Magdysyuk, Oxana V.,Margeti?, Davor,?trukil, Vjekoslav. "Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles". . p. 2666 - 2674. Retrieved 2016.
• 2、 Cui, Jin-Xian,Feng, Liu,Liu, Shaomin,Meng, Bo,Su, Zhong-Min,Wang, Kai,Wang, Lu-Jie,Zhou, Zi-Yan. "A metal-free covalent organic framework as a photocatalyst for CO2reduction at low CO2concentration in a gas-solid system". supporting information. p. 24895 - 24902. Retrieved 2021/11/27.