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Cas Database |
| 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 |
|
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
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 3h; | 99% |
| In dichloromethane at 20℃; for 4h; | 98% |
| In tetrahydrofuran at 20℃; for 4h; | 97% |
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 20℃; for 5h; | 96% |
| With water |
| Conditions | Yield |
|---|---|
| Stage #1: aniline; 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide In ethanol Substitution; Heating; Stage #2: methylamine In ethanol for 2.5h; Substitution; | 94% |
| Conditions | Yield |
|---|---|
| In methanol at 65℃; | 92% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Stage #1: 1H-imidazole-1-carbodithioic acid methyl ester; aniline In ethanol Substitution; Heating; Stage #2: methylamine In ethanol for 6.5h; Substitution; | 65% |
| Conditions | Yield |
|---|---|
| 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: 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
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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