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2724-69-8

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

    1-Methyl-3-phenyl-2-thiourea

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  • 1-methyl-3-phenylthiourea

  • Casno:

    2724-69-8

    1-methyl-3-phenylthiourea

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

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Chemistry

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

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.

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.

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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.

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.