Ethyl-7-chlorothieno[3,2-b]pyridine-6-carboxylate supplier

Name
7-CHLOROTHIENO[3,2-B]PYRIDINE-6-CARBOXYLIC ACID
EINECS 200-258-5
CAS No. 83179-01-5
Density 1.4 g/cm³
Solubility
Melting Point 82-83 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Formula C₁₀H₈ClNO₂S
Boiling Point 328.29 °C at 760 mmHg
Molecular Weight 241.698
Flash Point 152.345 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thieno[3,2-b]pyridine-6-carboxylic acid, 7-chloro-, ethyl ester;
PSA 67.43000
LogP 3.12640

Ethyl-7-chlorothieno[3,2-b]pyridine-6-carboxylate Specification

The Ethyl-7-chlorothieno[3, 2-b]pyridine-6-carboxylate, with the CAS registry number 83179-01-5, is also known as Thieno[3, 2-b]pyridine-6-carboxylic acid, 7-chloro-, ethyl ester. This chemical's molecular formula is C₁₀H₈ClNO₂S and molecular weight is 241.694. What's more, its IUPAC name is Ethyl 7-chlorothieno[3, 2-b]pyridine-6-carboxylate.

Physical properties about Ethyl-7-chlorothieno[3, 2-b]pyridine-6-carboxylate are: (1)ACD/LogP: 3.17; (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): 716; (6)ACD/BCF (pH 7.4): 716; (7)ACD/KOC (pH 5.5): 3847; (8)ACD/KOC (pH 7.4): 3847; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 61.872 cm³; (15)Molar Volume: 172.603 cm³; (16)Polarizability: 24.528×10^-24 cm³; (17)Surface Tension: 54.474 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 152.345 °C; (20)Enthalpy of Vaporization: 57.067 kJ/mol; (21)Boiling Point: 328.29 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cnc2ccsc2c1Cl
(2) InChI: InChI=1/C10H8ClNO2S/c1-2-14-10(13)6-5-12-7-3-4-15-9(7)8(6)11/h3-5H,2H2,1H3
(3) InChIKey: BMGRDHCUAJOXDZ-UHFFFAOYAT

Product Name

7-CHLOROTHIENO[3,2-B]PYRIDINE-6-CARBOXYLIC ACID

Ethyl-7-chlorothieno[3,2-b]pyridine-6-carboxylate Specification

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