CAS No.141109-20-8,(+)-(S)-Methyl alpha-[[2-(2-thienyl)ethyl]amino]-alpha-(2-chlorophenyl)acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141109-20-8
Name:	(+)-(S)-Methyl alpha-[[2-(2-thienyl)ethyl]amino]-alpha-(2-chlorophenyl)acetate
Article Data:	6

Formula:	C₁₅H₁₆ClNO₂S
Molecular Weight:	309.817
Synonyms:	(+)-(S)-Methyla-[[2-(2-thienyl)ethyl]amino]-a-(2-chlorophenyl)acetate;(S)-Methyla-[[2-(thien-2-yl)ethyl]amino]-a-(2-chlorophenyl)acetate;
Density:	1.255 g/cm³
Boiling Point:	416.596 °C at 760 mmHg
Flash Point:	205.75 °C
PSA:	66.57000
LogP:	3.83880

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Specification

This chemical is called (+)-(S)-Methyl alpha-[[2-(2-thienyl)ethyl]amino]-alpha-(2-chlorophenyl)acetate, and it can also be named as (aS)-2-Chloro-alpha-[[2-(2-thienyl)ethyl]amino]-benzeneacetic acid methyl ester. With the molecular formula of C₁₅H₁₆ClNO₂S, its molecular weight is 309.81. The CAS registry number of this chemical is 141109-20-8.

Other characteristics of the (+)-(S)-Methyl alpha-[[2-(2-thienyl)ethyl]amino]-alpha-(2-chlorophenyl)acetate can be summarised as followings: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 725; (6)ACD/BCF (pH 7.4): 1011; (7)ACD/KOC (pH 5.5): 3524; (8)ACD/KOC (pH 7.4): 4919; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.57 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 82.84 cm³; (15)Molar Volume: 246.949 cm³; (16)Polarizability: 32.84×10^-24cm³; (17)Surface Tension: 46.755 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 205.75 °C; (20)Enthalpy of Vaporization: 66.986 kJ/mol; (21)Boiling Point: 416.596 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccccc1C(NCCc2sccc2)C(=O)OC
2.InChI: InChI=1/C15H16ClNO2S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,14,17H,8-9H2,1H3
3.InChIKey: PAOGEKGFTGONII-UHFFFAOYAR