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1-Methyl-3-phenyl-2-thiourea

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1-Methyl-3-phenyl-2-thiourea

EINECS
CAS No. 2724-69-8 Density 1.194g/cm3
Solubility Melting Point 113°C
Formula C8H10 N2 S Boiling Point 247.4°Cat760mmHg
Molecular Weight 166.26 Flash Point 103.4°C
Transport Information Appearance
Safety Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx. Risk Codes
Molecular Structure Molecular Structure of 2724-69-8 (1-Methyl-3-phenyl-2-thiourea) Hazard Symbols
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

 

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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