Thiourea,N-[(4-methylphenyl)methyl]- supplier

Name
1-(4-METHYLBENZYL)-2-THIOUREA
EINECS
CAS No. 103854-74-6
Article Data3
CAS DataBase
Density 1.155 g/cm³
Solubility
Melting Point 120-122°C
Formula C₉H₁₂N₂S
Boiling Point 317.5 °C at 760 mmHg
Molecular Weight 180.27
Flash Point 145.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Methylbenzyl)thiourea;
PSA 70.14000
LogP 2.41940

Thiourea,N-[(4-methylphenyl)methyl]- Specification

The Thiourea,N-[(4-methylphenyl)methyl]-, with the CAS registry number of 103854-74-6, is also known as 1-(4-Methylbenzyl)thiourea. Its molecular formula is C₉H₁₂N₂S and molecular weight is 180.269980. What's more, its IUPAC name is (4-Methylphenyl)methylthiourea.

Physical properties about the Thiourea,N-[(4-methylphenyl)methyl]- are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.51; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 161.1; (8)ACD/KOC (pH 7.4): 161.11; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 55.04 cm³; (15)Molar Volume: 156 cm³; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.155 g/cm³; (18)Flash Point: 145.8 °C; (19)Enthalpy of Vaporization: 55.89 kJ/mol; (20)Boiling Point: 317.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000384 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(NCc1ccc(cc1)C)N
(2) InChI: InChI=1/C9H12N2S/c1-7-2-4-8(5-3-7)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)
(3) InChIKey: UNZSYIMZOJHWNX-UHFFFAOYAM

Product Name

1-(4-METHYLBENZYL)-2-THIOUREA

Thiourea,N-[(4-methylphenyl)methyl]- Specification

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