(3-Methylphenyl)thiourea

Base Information

• Chemical Name: (3-Methylphenyl)thiourea
• CAS No.: 621-40-9
• Molecular Formula: C8H10N2S
• Molecular Weight: 166.247
• Hs Code.: 2930909090
• European Community (EC) Number: 210-686-5
• NSC Number: 635574
• DSSTox Substance ID: DTXSID60211150
• Nikkaji Number: J48.969G
• ChEMBL ID: CHEMBL1088657
• Mol file: 621-40-9.mol

Synonyms:621-40-9;1-(3-methylphenyl)-2-thiourea;(3-Methylphenyl)thiourea;1-(m-Tolyl)thiourea;m-Tolylthiourea;N-(3-Methylphenyl)thiourea;m-tolyl-thiourea;1-m-Tolyl thiourea;3-Tolylthiourea;1-m-tolylthiourea;m-Tolyl-2-thiourea;1-(m-Methylphenyl)thiourea;1-(3-methylphenyl)thiourea;Urea, 2-thio-1-m-tolyl-;Thiourea, (3-methylphenyl)-;EINECS 210-686-5;CHEMBL1088657;Thiourea, (3-methylphenyl)- (9CI);3-methylphenylthiourea;m-Tolylthioharnstoff;NSC635574;(3-methylphenyl)-thioure;Amino[(3-methylphenyl)amino]methane-1-thione;MLS000577426;SCHEMBL1886408;SCHEMBL14432349;DTXSID60211150;HMS1581H10;HMS2489O22;BBL023549;BDBM50356166;MFCD00060451;STK108312;AKOS000113507;BS-3908;NSC-635574;s12350;NCGC00245757-01;NCI60_011886;SMR000186055;LS-160742;CS-0207464;FT-0632601;EN300-06173;A833606;A868546;Z56921365

Chemical Property of (3-Methylphenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.00373mmHg at 25°C
• Melting Point: 120-122°C
• Refractive Index: 1.696
• Boiling Point: 280.7 °C at 760 mmHg
• PKA: 13.15±0.70(Predicted)
• Flash Point: 123.6 °C
• PSA: 70.14000
• Density: 1.242 g/cm³
• LogP: 2.42380
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 166.05646950
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

(3-Methylphenyl)thiourea ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC(=S)N

Technology Process of (3-Methylphenyl)thiourea

There total 19 articles about (3-Methylphenyl)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: 95.0%

ammonium thiocyanate (1147550-11-5) + m-toluidine hydrochloride (638-03-9) → (3-methylphenyl)thiourea (621-40-9)

Guidance literature:

With ethanol; for 0.0125h; Microwave irradiation; Neat (no solvent);

Reference yield: 90.0%

N-benzoyl-N′-(3-methylphenyl)thiourea (4949-87-5) → (3-methylphenyl)thiourea (621-40-9)

Guidance literature:

With sodium hydroxide; at 98 ℃; for 0.166667h;

DOI:10.1016/j.bmcl.2006.01.126

Reference yield: 86.0%

ammonium thiocyanate + 1-amino-3-methylbenzene (108-44-1) → (3-methylphenyl)thiourea (621-40-9)

Guidance literature:

ammonium thiocyanate; With benzoyl chloride; In acetone; Reflux;

1-amino-3-methylbenzene; Reflux;

With sodium hydroxide; In water; at 80 ℃;

DOI:10.1021/jm901457w

upstream raw materials:

potassium thioacyanate

1-amino-3-methylbenzene

3-methylphenyl isothiocyanate

N-benzoyl-N′-(3-methylphenyl)thiourea

Downstream raw materials:

2-amino-5-methylbenzothiazole

7-methyl-1,3-benzothiazol-2-amine

3-methylphenylcyanamide

2-(3-tolylimino)-1,3-thiazol-4-one

Refernces

• 1、 Seelam, Mohan,Kammela, Prasada Rao,Shaikh, Bajivali,Tamminana, Ramana,Bogiri, Sujatha. "Cobalt-promoted one-pot reaction of isothiocyanates toward the synthesis of aryl/alkylcyanamides and substituted tetrazoles". . p. 535 - 544. Retrieved 2018/07/05.
• 2、 Wu,Fang,Tang,Xiao,Ye,Li,Hu. "Synthesis and antitumor evaluation of 5-(benzo[: D] [1,3]dioxol-5-ylmethyl)-4-(tert -butyl)- N -arylthiazol-2-amines". . p. 1768 - 1774. Retrieved 2016/09/28.