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62226-17-9

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Basic Information
CAS No.: 62226-17-9
Name: 4-CHLORO-THIENO[2,3-B]PYRIDINE
Molecular Structure:
Molecular Structure of 62226-17-9 (4-CHLORO-THIENO[2,3-B]PYRIDINE)
Formula: C7H4ClNS
Molecular Weight: 169.634
Synonyms: 4-Chlorthieno<2,3-b>pyridin;I09-1568;4-Chloro-thieno[2,3-b]pyridine;
Density: 1.435 g/cm3
Melting Point: 29.5-30 °C(Solv: hexane (110-54-3))
Boiling Point: 257.5 °C at 760 mmHg
Flash Point: 109.5 °C
PSA: 41.13000
LogP: 2.94970
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Specification

This chemical is called 4-Chlorothieno[2,3-b]pyridine, and its CAS registry number is 62226-17-9. With the molecular formula of C7H4ClNS, its molecular weight is 169.64.

Other characteristics of the 4-Chlorothieno[2,3-b]pyridine can be summarised as followings: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 323.62; (6)ACD/BCF (pH 7.4): 326.27; (7)ACD/KOC (pH 5.5): 2174.03; (8)ACD/KOC (pH 7.4): 2191.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 45.46 cm3; (15)Molar Volume: 118.2 cm3; (16)Polarizability: 18.02×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.435 g/cm3; (19)Flash Point: 109.5 °C; (20)Enthalpy of Vaporization: 47.5 kJ/mol; (21)Boiling Point: 257.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0234 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1ccnc2sccc12
2.InChI: InChI=1/C7H4ClNS/c8-6-1-3-9-7-5(6)2-4-10-7/h1-4H
3.InChIKey: QWAORBHZRDAYQE-UHFFFAOYAF