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Thiourea,N-[(4-methoxyphenyl)methyl]-

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Name

Thiourea,N-[(4-methoxyphenyl)methyl]-

EINECS N/A
CAS No. 37412-64-9 Density 1.198 g/cm3
PSA 79.37000 LogP 2.11960
Solubility N/A Melting Point 135 °C
Formula C9H12N2OS Boiling Point 344.5 °C at 760 mmHg
Molecular Weight 196.273 Flash Point 162.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 37412-64-9 (1-(4-METHOXYBENZYL)-2-THIOUREA) Hazard Symbols N/A
Synonyms

1-(4-Methoxybenzyl)thiourea;

Article Data 8

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

The Thiourea,N-[(4-methoxyphenyl)methyl]-, with the CAS registry number of 37412-64-9, is also known as 1-(4-Methoxybenzyl)thiourea. Its molecular formula is C9H12N2OS and molecular weight is 196.27. What's more, its IUPAC name is (4-Methoxyphenyl)methylthiourea.

Physical properties about the Thiourea,N-[(4-methoxyphenyl)methyl]- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 3.28; (7)ACD/KOC (pH 5.5): 81.43; (8)ACD/KOC (pH 7.4): 81.43; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.8 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 56.9 cm3; (15)Molar Volume: 163.7 cm3; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.198 g/cm3; (18)Flash Point: 162.1 °C; (19)Enthalpy of Vaporization: 58.84 kJ/mol; (20)Boiling Point: 344.5 °C at 760 mmHg; (21)Vapour Pressure: 6.58E-05 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce (4-Methoxy-benzyl)-(4-methyl-thiazol-2-yl)-amine. This reaction needs reagent DMSO. Meanwhile, it needs solvent H2O. The reaction time is 4 days with reaction temperature of 40 °C. The yield is about 70 %.

The Thiourea,N-[(4-methoxyphenyl)methyl]- can react with to get (4-Methoxy-benzyl)-(4-methyl-thiazol-2-yl)-amine

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

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N)NCc1ccc(OC)cc1
(2) InChI: InChI=1/C9H12N2OS/c1-12-8-4-2-7(3-5-8)6-11-9(10)13/h2-5H,6H2,1H3,(H3,10,11,13)
(3) InChIKey: KCPZCBGTVXMSPQ-UHFFFAOYAC

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