-
Name
Thieno[2,3-c]pyridine-6(5H)-acetic acid, -(2-chlorophenyl)-4,7-dihydro-, methyl ester
- EINECS
- CAS No. 144457-43-2
- Article Data1
- CAS DataBase
- Density 1.317 g/cm3
- Solubility
- Melting Point
- Formula C16H16ClNO2S
- Boiling Point 423.7 °C at 760 mmHg
- Molecular Weight 321.828
- Flash Point 210 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate;
- PSA 57.78000
- LogP 3.61180
Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate Specification
The Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate, with the CAS registry number 144457-43-2, is also known as Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester. This chemical's molecular formula is C16H16ClNO2S and molecular weight is 321.8217. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate.
Physical properties about Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.23; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 57.78 Å2; (9)Index of Refraction: 1.617; (10)Molar Refractivity: 85.48 cm3; (11)Molar Volume: 244.3 cm3; (12)Surface Tension: 52.7 dyne/cm; (13)Density: 1.317 g/cm3; (14)Flash Point: 210 °C; (15)Enthalpy of Vaporization: 67.81 kJ/mol; (16)Boiling Point: 423.7 °C at 760 mmHg; (17)Vapour Pressure: 2.19E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C(c1ccccc1Cl)N2CCc3ccsc3C2
(2) InChI: InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18/h2-5,7,9,15H,6,8,10H2,1H3
(3) InChIKey: ZEIGZKQSYIWMTR-UHFFFAOYAT
Related Products
- Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate
- Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate
- Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate
- Methyl (2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate
- Methyl (3R)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidenehexanoate
- Methyl (3R,4S)-1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-3-azetidinepropanoate
- Methyl (methylthio)acetate
- Methyl [6,6]-phenyl-C61-butyrate
- Methyl 1-(diphenylmethyl)azetidine-3-carboxylate
- Methyl 1-(Mercaptomethyl)cyclopropaneacetate
- 144461-19-8
- 14446-24-3
- 1444-65-1
- 144465-94-1
- 14446-75-4
- 14447-15-5
- 14447-18-8
- 144481-98-1
- 144-48-9
- 144-49-0
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View