CAS No.4104-75-0,N-METHYL-N-PHENYLTHIOUREA Suppliers

Products Categories

Pharmaceutical (9)
Organic Chemicals (5)
Others (4)
Reagent (2)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	4104-75-0
Name:	N-METHYL-N-PHENYLTHIOUREA
Article Data:	22

Formula:	C₈H₁₀N₂S
Molecular Weight:	166.247
Synonyms:	1-Phenyl-1-methylthiourea;
EINECS:	223-877-3
Density:	1.221 g/cm³
Melting Point:	99 °C
Boiling Point:	267.1 °C at 760 mmHg
Flash Point:	115.3 °C
Solubility:	Insoluble in water.
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 2811
PSA:	61.35000
LogP:	2.06670

Total:21 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 4104-75-0

Specification

The 1-Methyl-1-phenyl-thiourea, with the CAS registry number 4104-75-0, is also known as 1-Phenyl-1-methylthiourea. Its EINECS registry number is 223-877-3. This chemical's molecular formula is C₈H₁₀N₂S and molecular weight is 166.24. What's more, its IUPAC name is 1-Methyl-1-phenylthiourea.

Physical properties about 1-Methyl-1-phenyl-thiourea are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.61; (6)ACD/BCF (pH 7.4): 2.61; (7)ACD/KOC (pH 5.5): 69.08; (8)ACD/KOC (pH 7.4): 69.09; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 51.39 cm³; (15)Molar Volume: 136 cm³; (16)Polarizability: 20.37×10^-24cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.221 g/cm³; (19)Flash Point: 115.3 °C; (20)Enthalpy of Vaporization: 50.51 kJ/mol; (21)Boiling Point: 267.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00831 mmHg at 25 °C.

Preparation of 1-Methyl-1-phenyl-thiourea: this chemical is prepared by 3-Benzoyl-1-methyl-1-phenyl-thiourea. The reaction needs reagent NH₂NH₂. The reaction time is 10 minutes with reaction temperature of 25 °C. The yield is about 98 %.

1-Methyl-1-phenyl-thiourea can be obtained by 3-Benzoyl-1-methyl-1-phenyl-thiourea.

Uses of 1-Methyl-1-phenyl-thiourea: it is used to produce other chemicals. For example, it is used to produce S-Ethyl-N-methyl-N-phenyl-isothiourea; hydriodide by heating. The reaction needs solvent Acetone. The reaction time is 4 hours. The yield is about 86 %.

1-Methyl-1-phenyl-thiourea can be used to produce S-Ethyl-N-methyl-N-phenyl-isothiourea; hydriodid.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In addition, this chemical is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N(c1ccccc1)C)N
(2) InChI: InChI=1/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
(3) InChIKey: MCWZNJNWGQPUGL-UHFFFAOYAT