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| CAS No.: | 272-23-1 |
|---|---|
| Name: | Thieno[2,3-b]pyridine (8CI,9CI) |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C7H5NS |
| Molecular Weight: | 135.189 |
| Synonyms: | NSC 152397; |
| Density: | 1.272 g/cm3 |
| Boiling Point: | 236.5 °C at 760 mmHg |
| Flash Point: | 100.2 °C |
| PSA: | 41.13000 |
| LogP: | 2.29630 |
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Specification
The Thieno[2,3-b]pyridine, with the CAS registry number 272-23-1, belongs to the following product categories: Thienopyridine; Building Blocks; Thieno[x,x-y]pyridine. And the molecular formula of the chemical is C7H5NS.
The characteristics of Thieno[2,3-b]pyridine are as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.689; (8)Molar Refractivity: 40.57 cm3; (9)Molar Volume: 106.2 cm3; (10)Polarizability: 16.08×10-24cm3; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.272 g/cm3; (13)Flash Point: 100.2 °C; (14)Enthalpy of Vaporization: 45.41 kJ/mol; (15)Boiling Point: 236.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0725 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccc2c1scc2
(2)InChI: InChI=1/C7H5NS/c1-2-6-3-5-9-7(6)8-4-1/h1-5H
(3)InChIKey: SMZMHUCIDGHERP-UHFFFAOYAL