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1-Methyl-3-phenyl-2-thiourea

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Name

1-Methyl-3-phenyl-2-thiourea

EINECS N/A
CAS No. 2724-69-8 Density 1.194g/cm3
PSA 56.15000 LogP 2.06670
Solubility N/A Melting Point 113°C
Formula C8H10 N2 S Boiling Point 247.4°Cat760mmHg
Molecular Weight 166.247 Flash Point 103.4°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx. Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2724-69-8 (1-Methyl-3-phenyl-2-thiourea) Hazard Symbols N/A
Synonyms

Urea,1-methyl-3-phenyl-2-thio- (6CI,7CI,8CI); 1-Methyl-3-phenyl-2-thiourea;1-Methyl-3-phenylthiocarbamide; 1-Methyl-3-phenylthiourea;1-Phenyl-3-methylthiourea; N-Methyl-N'-phenylthiourea;N-Phenyl-N'-methylthiourea; N1-Methyl-N2-phenylthiourea; NSC 3736

Article Data 37

1-Methyl-3-phenyl-2-thiourea Synthetic route

103-72-0

phenyl isothiocyanate

74-89-5

methylamine

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
In acetonitrile at 20℃; for 3h;99%
In dichloromethane at 20℃; for 4h;98%
In tetrahydrofuran at 20℃; for 4h;97%
593-51-1

methylamine hydrochloride

103-72-0

phenyl isothiocyanate

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 5h;96%
With water
62-53-3

aniline

74-89-5

methylamine

3-methyl-1-(methyldithiocarbonyl)imidazolium iodide

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
Stage #1: aniline; 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide In ethanol Substitution; Heating;
Stage #2: methylamine In ethanol for 2.5h; Substitution;
94%
624-83-9

methyl isocyanate

62-53-3

aniline

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
In methanol at 65℃;92%
556-61-6

methyl thioisocyanate

62-53-3

aniline

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
With capsule network from tris(3-pyridyl)triazine and Co(NCS)2 In Hexadecane for 72h;91%
In ethanol Heating;88%
In methanol for 1h; Heating;85%
1516-85-4, 109314-79-6

tetraphenyloxalic amidine

556-61-6

methyl thioisocyanate

A

82627-70-1

1-Methyl-3-phenyl-4,5-diphenylimino-imidazolidin-2-thion

B

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
In acetone for 6h; Heating;A 88%
B n/a
593-77-1

N-Methylhydroxylamine

103-72-0

phenyl isothiocyanate

A

2724-69-8

1-methyl-3-phenylthiourea

B

102-08-9

N,N-diphenylthiourea

Conditions
ConditionsYield
Stage #1: N-Methylhydroxylamine; phenyl isothiocyanate With magnesium oxide In acetone at 20℃; for 0.166667h;
Stage #2: for 0.05h; Microwave irradiation; neat (no solvent);
A 76%
B 9%
102-08-9

N,N-diphenylthiourea

74-89-5

methylamine

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
With trimethylbenzylammonium bromide; triethylamine In water; ethyl acetate for 3h; Heating;70%
74734-11-5

1H-imidazole-1-carbodithioic acid methyl ester

62-53-3

aniline

74-89-5

methylamine

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
Stage #1: 1H-imidazole-1-carbodithioic acid methyl ester; aniline In ethanol Substitution; Heating;
Stage #2: methylamine In ethanol for 6.5h; Substitution;
65%

methanamine hydrochloride salt

103-72-0

phenyl isothiocyanate

2724-69-8

1-methyl-3-phenylthiourea

Conditions
ConditionsYield
With triethylamine In ethanol at 20℃; Cooling with ice;61%

1-Methyl-3-phenyl-2-thiourea Chemical Properties

Molecule structure of N-Methyl-N'-phenyl thiourea (CAS NO.2724-69-8):

IUPAC Name: 1-Methyl-3-phenylthiourea 
Molecular Weight: 166.2434 g/mol
Molecular Formula: C8H10N2
Density: 1.194 g/cm3 
Melting Point: 113 °C
Boiling Point: 247.4 °C at 760 mmHg 
Flash Point: 103.4 °C
Index of Refraction: 1.659
Molar Refractivity: 51.37 cm3
Molar Volume: 139.2 cm3
Polarizability: 20.36×10-24 cm3
Surface Tension: 55.8 dyne/cm 
Enthalpy of Vaporization: 48.46 kJ/mol
Vapour Pressure: 0.0257 mmHg at 25 °C
XLogP3: 1.7
H-Bond Donor: 2 
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 166.056469
MonoIsotopic Mass: 166.056469
Topological Polar Surface Area: 24.1
Heavy Atom Count: 11
Complexity: 130
Canonical SMILES: CNC(=S)NC1=CC=CC=C1
InChI: InChI=1S/C8H10N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
InChIKey: IGEQFPWPMCIYDF-UHFFFAOYSA-N

1-Methyl-3-phenyl-2-thiourea Uses

 N-Methyl-N'-phenyl thiourea (CAS NO.2724-69-8) is used to prepare 2-methylamino-benzothiazole which is the intermediate of herbicide methyl benzene thiophene.

1-Methyl-3-phenyl-2-thiourea Production

In the reactor by adding sodium carbonate solution, the carbon disulfide solution of aniline added to the reactor, the reaction temperature was controlled at 40 ~ 50 °C, generating two thio aniline sodium (PhNHCS2Na), and then join the methylamine solution and keep stirring obtained crystallization, filtration, washing derived product.

1-Methyl-3-phenyl-2-thiourea Toxicity Data With Reference

1.    

dlt-mus-ipr 50 mg/kg

    MGGEAE    Molecular and General Genetics. 117 (1972),197.
2.    

orl-rat LDLo:50 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 93 (1948),287.

1-Methyl-3-phenyl-2-thiourea Consensus Reports

Reported in EPA TSCA Inventory.

1-Methyl-3-phenyl-2-thiourea Safety Profile

Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

1-Methyl-3-phenyl-2-thiourea Specification

 N-Methyl-N'-phenyl thiourea (CAS NO.2724-69-8) is also called 1-Methyl-3-phenylthiocarbamide ; 1-Methyl-3-phenylthiourea ; 1-Phenyl-3-methylthiourea ; 3-12-00-00853 (Beilstein Handbook Reference) ; BRN 0638006 ; N-Methyl-N'-phenylthiourea ; NSC 3736 ; Thiourea, N-methyl-N'-phenyl- ; Urea, 1-methyl-3-phenyl-2-thio- . N-Methyl-N'-phenyl thiourea (CAS NO.2724-69-8) is lamellae. It can soluble in ethanol and ether and also can dissolve in water.

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