Thiourea,N-methyl-N'-(phenylmethyl)- supplier

Name
1-BENZYL-3-METHYL-2-THIOUREA
EINECS 220-369-3
CAS No. 2740-94-5
Article Data10
CAS DataBase
Density 1.117 g/cm³
Solubility 39.3 mg/mL in water at 25 ºC
Melting Point 74 °C
Formula C₉H₁₂N₂S
Boiling Point 281.7 °C at 760 mmHg
Molecular Weight 180.274
Flash Point 124.2 °C
Transport Information UN 3335
Appearance solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Urea,1-benzyl-3-methyl-2-thio- (7CI,8CI);1-Benzyl-3-methyl-2-thiourea;1-Benzyl-3-methylthiourea;N-Benzyl-N'-methylthiourea;N-Methyl-N'-benzylthiourea;
PSA 56.15000
LogP 2.06230

Thiourea,N-methyl-N'-(phenylmethyl)- Specification

The Thiourea,N-methyl-N'-(phenylmethyl)-, with the CAS registry number 2740-94-5, is also known as 1-Benzyl-3-methyl-2-thiourea. Its EINECS number is 220-369-3. This chemical's molecular formula is C₉H₁₂N₂S and molecular weight is 180.27. What's more, its systematic name is 1-benzyl-3-methylthiourea.

Physical properties of Thiourea,N-methyl-N'-(phenylmethyl)- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/BCF (pH 5.5): 6.25; (5)ACD/KOC (pH 5.5): 129.24; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.57 Å²; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 54.91 cm³; (12)Molar Volume: 161.3 cm³; (13)Surface Tension: 48.6 dyne/cm; (14)Density: 1.117 g/cm³; (15)Flash Point: 124.2 °C; (16)Enthalpy of Vaporization: 52.05 kJ/mol; (17)Boiling Point: 281.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00351 mmHg at 25°C.

Uses of Thiourea,N-methyl-N'-(phenylmethyl)-: it can be used to produce 3-benzyl-2-methylimino-thiazolidin-5-one at the ambient temperature. It will need reagent 5% aq. NaOH and solvent CH₂Cl₂ with the reaction time of 12 hours. The yield is about 34%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC(=S)NCC1=CC=CC=C1
(2)InChI: InChI=1S/C9H12N2S/c1-10-9(12)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12)
(3)InChIKey: GDUBTTXVKWIAKV-UHFFFAOYSA-N

Product Name

1-BENZYL-3-METHYL-2-THIOUREA

Thiourea,N-methyl-N'-(phenylmethyl)- Specification

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