1-Methyl-3-phenyl-2-thiourea supplier

Name
1-Methyl-3-phenyl-2-thiourea
EINECS
CAS No. 2724-69-8
Article Data37
CAS DataBase
Density 1.194g/cm³
Solubility
Melting Point 113°C
Formula C8H10 N2 S
Boiling Point 247.4°Cat760mmHg
Molecular Weight 166.247
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 SO_x and NO_x.
Risk Codes 36/37/38
Molecular Structure
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
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

Conditions	Yield
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

Conditions	Yield
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

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%

...Expand

: 624-83-9
methyl isocyanate

: 62-53-3
aniline

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
In methanol at 65℃;	92%

: 556-61-6
methyl thioisocyanate

: 62-53-3
aniline

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

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

Conditions	Yield
In acetone for 6h; Heating;	A 88% B n/a

...Expand

: 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

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%

...Expand

: 102-08-9
N,N-diphenylthiourea

: 74-89-5
methylamine

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

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

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%

...Expand

: methanamine hydrochloride salt

: 103-72-0
phenyl isothiocyanate

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

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

: 593-77-1
N-Methylhydroxylamine

: 103-72-0
phenyl isothiocyanate

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
Stage #1: N-Methylhydroxylamine; phenyl isothiocyanate With magnesium oxide In acetone at 20℃; for 0.166667h; Stage #2: for 1h; Microwave irradiation; neat (no solvent);	22%

: 103-72-0
phenyl isothiocyanate

: 622-29-7
N-Benzylidenemethylamine

: 2724-69-8
1-methyl-3-phenylthiourea

: 2438-90-6
N,N'-dimethylthioperoxydicarbamic acid

: 62-53-3
aniline

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
In ethanol

: 124-41-4
sodium methylate

: 98095-88-6
1-Acetyl-1-methyl-3-methylthiourea

A: 79-20-9
acetic acid methyl ester

B: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
In methanol at 25℃; Rate constant;

...Expand

: 124-41-4
sodium methylate

: 98095-87-5
1-Acetyl-1-phenyl-3-methylthiourea

A: 79-20-9
acetic acid methyl ester

B: 98095-88-6
1-Acetyl-1-methyl-3-methylthiourea

C: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
In methanol at 25℃; Rate constant;

...Expand

: 124-41-4
sodium methylate

: 98095-86-4
1-Benzoyl-1-phenyl-3-methylthiourea

A: 94398-08-0
1-Benzoyl-1-methyl-3-phenyl-thiourea

B: 2724-69-8
1-methyl-3-phenylthiourea

C: 103-85-5
monophenylthiourea

Conditions

Conditions	Yield
In methanol at 25℃; Rate constant; var. buffers;

...Expand

: 124-41-4
sodium methylate

: 94398-08-0
1-Benzoyl-1-methyl-3-phenyl-thiourea

A: 2724-69-8
1-methyl-3-phenylthiourea

B: 103-85-5
monophenylthiourea

Conditions

Conditions	Yield
In methanol at 25℃; Rate constant;

...Expand

: 1-Methyl-3-phenyl-thiourea; compound with iodine

A: 2724-69-8
1-methyl-3-phenylthiourea

B I2: I2

Conditions

Conditions	Yield
In dichloromethane Equilibrium constant; Thermodynamic data;

: 67-56-1
methanol

: 150715-06-3
5-isopropyl-1-methyl-3-phenyl-2-thiohydantoin

A: 2724-69-8
1-methyl-3-phenylthiourea

B: 5-isopropyl-5-methoxy-1-methyl-3-phenyl-2-thiohydantoin

C: 5-isopropyl-5-hydroxy-1-methyl-3-phenyl-2-thiohydantoin

Conditions

Conditions	Yield
With oxygen; sodium methylate for 8h;	A 1 mg B 11 mg C 10 mg

...Expand

: 5-isopropyl-5-hydroxy-1-methyl-3-phenyl-2-thiohydantoin

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
With water

: 5097-82-5
5-phenyl-1H-tetrazolone

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: tetrabutylammomium bromide; sodium hydroxide / dichloromethane 2: tetraphosphorus decasulfide / toluene 3: cyclohexa-1,4-diene / acetonitrile / 1 h / UV-irradiation; Inert atmosphere; Photolysis View Scheme

: 54246-62-7
1,4-Dihydro-1-methyl-4-phenyl-5H-tetrazol-5-on

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetraphosphorus decasulfide / toluene 2: cyclohexa-1,4-diene / acetonitrile / 1 h / UV-irradiation; Inert atmosphere; Photolysis View Scheme

: 1455-91-0
1-phenyl-4-methyl-1,4-dihydro-5H-tetrazol-5-thione

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
With cyclohexa-1,4-diene In acetonitrile for 1h; UV-irradiation; Inert atmosphere; Photolysis;

: 103-71-9
phenyl isocyanate

: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: trimethylsilylazide 2: tetrabutylammomium bromide; sodium hydroxide / dichloromethane 3: tetraphosphorus decasulfide / toluene 4: cyclohexa-1,4-diene / acetonitrile / 1 h / UV-irradiation; Inert atmosphere; Photolysis View Scheme

: 556-61-6
methyl thioisocyanate

: 62-53-3
aniline

: 87-62-7
2,6-dimethylaniline

A: 32767-59-2
1-(2,6-dimethylphenyl)-3-methylthiourea

B: 2724-69-8
1-methyl-3-phenylthiourea

Conditions

Conditions	Yield
With capsule network from tris(3-pyridyl)triazine and Co(NCS)2

...Expand

: 1369761-90-9
[1-bromo-1-(1,1,2,2-tetrafluoroethoxy)methyl]phenylketone

: 2724-69-8
1-methyl-3-phenylthiourea

: 1369762-00-4
[3-methyl-4-phenyl-5-(1,1,2,2-tetrafluoroethoxy)-3H-thiazol-2-ylidene]phenylamine

Conditions

Conditions	Yield
In 1,4-dioxane; water at 80℃; for 6h; Hantzsch type cyclization; regioselective reaction;	100%

: 937-38-2
1-chloro-3-phenylpropan-2-one

: 2724-69-8
1-methyl-3-phenylthiourea

: [4-Benzyl-3-phenyl-3H-thiazol-(2Z)-ylidene]-methyl-amine; hydrochloride

Conditions

Conditions	Yield
for 0.166667h; microwave irradiation;	98%

: 4405-13-4
glyoxal trimer dihydrate

: 2724-69-8
1-methyl-3-phenylthiourea

: (4S*,5S*)-4,5-dihydroxy-1-methyl-3-phenylimidazolidine-2-thione

Conditions

Conditions	Yield
In isopropyl alcohol for 1h; Reflux;	96%

: 532-27-4
1-chloroacetophenone

: 2724-69-8
1-methyl-3-phenylthiourea

: [3,4-Diphenyl-3H-thiazol-(2Z)-ylidene]-methyl-amine; hydrochloride

Conditions

Conditions	Yield
for 0.166667h; microwave irradiation;	95%

: 2724-69-8
1-methyl-3-phenylthiourea

: 16954-69-1
2-methylaminobenzthiazole

Conditions

Conditions	Yield
With thionyl chloride at 50 - 55℃; for 4h;	94.8%
With bromine; acetic acid at 20℃; for 3h; Hugerschoff reaction;	83%
With bromine In acetic acid for 1h; Ambient temperature;	75%
With sulfuryl dichloride
With lead(II) dihydrogen orthophosphate; H2; buffer solution In methanol for 1.5h; Heating;

: 70-11-1
α-bromoacetophenone

: 2724-69-8
1-methyl-3-phenylthiourea

: 97118-81-5
N-(3-methyl-4-phenylthiazol-2(3H)-ylidene)phenylamine

Conditions

Conditions	Yield
In ethanol for 1h; Heating;	93.2%
With 1,4-diaza-bicyclo[2.2.2]octane In ethanol; water at 20℃; for 0.5h;	87%

: 98-88-4
benzoyl chloride

: 2724-69-8
1-methyl-3-phenylthiourea

: 1-phenyl-3-methyl-S-benzoylisothiouronium chloride

Conditions

Conditions	Yield
In acetone	93%

: 55143-87-8
N-ethylquinoxalinium iodide

: 2724-69-8
1-methyl-3-phenylthiourea

: 89607-04-5
(3aS,9aR)-4-Ethyl-3-methyl-1-phenyl-1,3,3a,4,9,9a-hexahydro-imidazo[4,5-b]quinoxaline-2-thione

Conditions

Conditions	Yield
With diethylamine In ethanol at 20 - 25℃;	92%

: 2724-69-8
1-methyl-3-phenylthiourea

: 2,4-dimethyl-3,5-diphenylimino-1,2,4-thiadiazolidine

Conditions

Conditions	Yield
With 1-[4-(diacetoxyiodo)benzyl]-3-methylimidazolium tetrafluoroborate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 25℃; for 1.2h;	92%

: 2724-69-8
1-methyl-3-phenylthiourea

: 4172-91-2
N-((methylimino)methylene)aniline

Conditions

Conditions	Yield
With dmap; methanesulfonyl chloride; triethylamine In dichloromethane for 0.0833333h; Ambient temperature;	91%
With mercury(II) oxide In dichloromethane; water at 20℃; for 0.5h;	12%
With 2-chloro-1-methyl-pyridinium iodide; triethylamine In N,N-dimethyl-formamide at 20℃; for 1h;

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 2724-69-8
1-methyl-3-phenylthiourea

: [4-tert-Butyl-3-phenyl-3H-thiazol-(2Z)-ylidene]-methyl-amine; hydrochloride

Conditions

Conditions	Yield
for 0.0833333h; microwave irradiation;	90%

: 2724-69-8
1-methyl-3-phenylthiourea

: 102-08-9
N,N-diphenylthiourea

: [3,4-Diphenyl-3H-thiazol-(2Z)-ylidene]-phenyl-amine; hydrochloride

Conditions

Conditions	Yield
for 0.166667h; microwave irradiation;	90%

: 105-39-5
chloroacetic acid ethyl ester

: 2724-69-8
1-methyl-3-phenylthiourea

: 63500-82-3
(Z)-3-methyl-2-(phenylimino)thiazolidine-4-one

Conditions

Conditions	Yield
With sodium acetate In ethanol Reflux;	90%

: 2724-69-8
1-methyl-3-phenylthiourea

: 3-(4-chlorobenzoyl)-2-propenoic acid

: 1040550-18-2
2-phenylimino-3-methyl-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidine

Conditions

Conditions	Yield
In acetic acid for 1h; Heating;	89.1%

: 75-03-6
ethyl iodide

: 2724-69-8
1-methyl-3-phenylthiourea

: S-ethyl-1-methyl-3-phenylisothiourea hydroiodide

Conditions

Conditions	Yield
In acetone for 4h; Heating;	89%

: 17648-16-7
bis(dichlorophosphino)methylamine

: 2724-69-8
1-methyl-3-phenylthiourea

A: 2,4-Dichloro-1,3-dimethyl-5-phenyl-[1,3,5,2,4]triazadiphosphinane-6-thione

B: 2,6,9-Trimethyl-4,8-diphenyl-2,4,6,8,9-pentaaza-1,5-diphospha-bicyclo[3.3.1]nonane-3,7-dithione

C: 2,8,9-Trimethyl-4,6-diphenyl-2,4,6,8,9-pentaaza-1,5-diphospha-bicyclo[3.3.1]nonane-3,7-dithione

Conditions

Conditions	Yield
With pyridine	A 88% B n/a C n/a

...Expand

: 35513-39-4
β-(4-bromobenzoyl)acrylic acid

: 2724-69-8
1-methyl-3-phenylthiourea

: 1040550-13-7
2-phenylimino-3-methyl-5-[2-(4-bromophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidine

Conditions

Conditions	Yield
In acetic acid for 1h; Heating;	88%

: 19522-26-0
3-benzoyl-2-propenoic acid

: 2724-69-8
1-methyl-3-phenylthiourea

: 1040550-08-0
2-phenylimino-3-methyl-5-(2-phenyl-2-oxoethyl)-4-oxo-1,3-thiazolidine

Conditions

Conditions	Yield
In acetic acid for 1h; Heating;	87.7%

: 2724-69-8
1-methyl-3-phenylthiourea

: 4-methyl-5-methylimino-2-phenyl-3-phenylimino-1,2,4-thiadiazolidine

Conditions

Conditions	Yield
With 1-[4-(diacetoxyiodo)benzyl]-3-methylimidazolium tetrafluoroborate; at 25℃; for 2h;	87%

: 38238-77-6
dimethyl 2-chloroethylene-1,1-dicarboxylate

: 2724-69-8
1-methyl-3-phenylthiourea

: S-[3-methoxy-2-(methoxycarbonyl)-3-oxoprop-1-en-1-yl]-N-methyl-N’-phenylisothiuronium chloride

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 2h;	87%

: 20595-03-3
N-methylquinoxalinium iodide

: 2724-69-8
1-methyl-3-phenylthiourea

: 89607-03-4
1,9-dimethyl-3-phenyl-2,3,3a,4,9,9a-hexahydro-1H-imidazo<4,5-b>quinoxaline-2-thione

Conditions

Conditions	Yield
With diethylamine In ethanol at 20 - 25℃;	82%

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 SO_x and NO_x.
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.

Product Name

1-Methyl-3-phenyl-2-thiourea

Synthetic route

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

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

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

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

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

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

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

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