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106670-34-2

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Basic Information
CAS No.: 106670-34-2
Name: 2-[(4-METHYLBENZYL)THIO]ETHANAMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 106670-34-2 (2-[(4-METHYLBENZYL)THIO]ETHANAMINE)
Formula: C10H15NS
Molecular Weight: 181.2978
Synonyms: 2-[(4-Methylbenzyl)sulfanyl]ethanamine;
Density: 1.049 g/cm3
Boiling Point: 289.7 °C at 760 mmHg
Flash Point: 129 °C
PSA: 51.32000
LogP: 2.88720
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Specification

The CAS registry number of Ethanamine,2-[[(4-methylphenyl)methyl]thio]- is 106670-34-2. This chemical's molecular formula is C10H15NS and molecular weight is 181.2978. What's more, its systematic name is 2-[(4-Methylbenzyl)sulfanyl]ethanamine. 

Physical properties about this chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 28.54 Å2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 56.79 cm3; (9)Molar Volume: 172.6 cm3; (10)Polarizability: 22.51×10-24 cm3; (11)Surface Tension: 42.5 dyne/cm; (12)Density: 1.049 g/cm3; (13)Flash Point: 129 °C; (14)Enthalpy of Vaporization: 52.9 kJ/mol; (15)Boiling Point: 289.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00217 mmHg at 25 °C.

Preparation of Ethanamine,2-[[(4-methylphenyl)methyl]thio]-: this chemical is prepared by 2-Amino-ethanethiol; hydrochloride. This reaction needs reagent NaOEt and solvent ethanol by heating for 1.5 hours. The yield is 73 %. And the reaction equation is as followed:

Ethanamine,2-[[(4-methylphenyl)methyl]thio]- is prepared by 2-Amino-ethanethiol; hydrochloride

You can still convert the following datas into molecular structure:
(1) SMILES: S(CCN)Cc1ccc(cc1)C
(2) InChI: InChI=1/C10H15NS/c1-9-2-4-10(5-3-9)8-12-7-6-11/h2-5H,6-8,11H2,1H3
(3) InChIKey: LGOBOBXQLWNEPW-UHFFFAOYAY