1-(2,4-Dimethylphenyl)-3-methylthiourea supplier

Name
1-(2,4-Dimethylphenyl)-3-methylthiourea
EINECS 236-277-1
CAS No. 13278-55-2
Density 1.131 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₂S
Boiling Point 277.2 °C at 760 mmHg
Molecular Weight 194.301
Flash Point 121.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Urea,1-methyl-2-thio-3-(2,4-xylyl)- (6CI,7CI,8CI);1-(2,4-Dimethylphenyl)-3-methyl-2-thiourea;N-Methyl-N'-(2,4-dimethylphenyl)thiourea;
PSA 56.15000
LogP 2.68350

1-(2,4-Dimethylphenyl)-3-methylthiourea Specification

The IUPAC name of 1-(2,4-Dimethylphenyl)-3-methylthiourea is 1-(2,4-dimethylphenyl)-3-methylthiourea. With the CAS registry number 13278-55-2, it is also named as 3-Methyl-1-(2,4-xylyl)thiourea. In addition, its molecular formula is C₁₀H₁₄N₂S and its molecular weight is 194.30.

The other characteristics of 1-(2,4-Dimethylphenyl)-3-methylthiourea can be summarized as: (1)EINECS: 236-277-1; (2)ACD/LogP: 1.81; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.81; (5)ACD/LogD (pH 7.4): 1.81; (6)ACD/BCF (pH 5.5): 13.95; (7)ACD/BCF (pH 7.4): 13.95; (8)ACD/KOC (pH 5.5): 229.61; (9)ACD/KOC (pH 7.4): 229.61; (10)H bond acceptors: 2; (11)H bond donors: 2; (12)Freely Rotating Bonds: 1; (13)Polar Surface Area: 38.57 Å²; (14)Index of Refraction: 1.628; (15)Molar Refractivity: 61.02 cm³; (16)Molar Volume: 171.7 cm³; (17)Polarizability: 24.19×10^-24cm³; (18)Surface Tension: 49.5 dyne/cm; (19)Density: 1.131 g/cm³; (20)Flash Point: 121.4 °C; (21)Enthalpy of Vaporization: 51.57 kJ/mol; (22)Boiling Point: 277.2 °C at 760 mmHg; (23)Vapour Pressure: 0.0046 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:S=C(Nc1ccc(cc1C)C)NC
(2)InChI:InChI=1/C10H14N2S/c1-7-4-5-9(8(2)6-7)12-10(13)11-3/h4-6H,1-3H3,(H2,11,12,13)
(3)InChIKey:HZAOAIZJMMTSFN-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C10H14N2S/c1-7-4-5-9(8(2)6-7)12-10(13)11-3/h4-6H,1-3H3,(H2,11,12,13)
(5)Std. InChIKey:HZAOAIZJMMTSFN-UHFFFAOYSA-N

Product Name

1-(2,4-Dimethylphenyl)-3-methylthiourea

1-(2,4-Dimethylphenyl)-3-methylthiourea Specification

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