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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 |
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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 |
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: C8H10N2S
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
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.
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. | 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. |
Reported in EPA TSCA Inventory.
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.
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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