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| CAS No.: | 207740-24-7 |
|---|---|
| Name: | 2,5-Dimethoxy-4-(ethylthio)phenethylamine |
| Molecular Structure: | |
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| Formula: | C12H19NO2S |
| Molecular Weight: | 241.354 |
| Synonyms: | 2C-T2;4-Ethylthio-2,5-dimethoxyphenethylamine;2,5-Dimethoxy-4-(ethylthio)phenethylamine;2,5-Dimethoxy-4-ethylthiophenethylamine Hydrochloride; |
| EINECS: | 811-235-0 |
| Density: | 1.1 g/cm3 |
| Melting Point: | 130 °C |
| Boiling Point: | 362.5 °C at 760 mmHg |
| Flash Point: | 173.1 °C |
| PSA: | 69.78000 |
| LogP: | 3.01730 |
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Specification
The 2,5-Dimethoxy-4-(ethylthio)phenethylamine, with the CAS registry number 207740-24-7, is also known as 2,5-Dimetoxy-4-ethylthiophenethlamine. It belongs to the product category of Amines. This chemical's molecular formula is C12H19NO2S and molecular weight is 241.3498. Its systematic name is called 2-[4-(ethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine.
Physical properties of 2,5-Dimethoxy-4-(ethylthio)phenethylamine: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 7.4): 0.3; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3.9; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.552; (11)Molar Refractivity: 69.63 cm3; (12)Molar Volume: 217.6 cm3; (13)Surface Tension: 44.2 dyne/cm; (14)Density: 1.1 g/cm3; (15)Flash Point: 173.1 °C; (16)Enthalpy of Vaporization: 60.85 kJ/mol; (17)Boiling Point: 362.5 °C at 760 mmHg; (18)Vapour Pressure: 1.92E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCSc1cc(OC)c(cc1OC)CCN
(2)InChI: InChI=1/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3
(3)InChIKey: HCWQGDLBIKOJPM-UHFFFAOYAX