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| CAS No.: | 94191-12-5 |
|---|---|
| Name: | 3-bromothiopheno[3,2-b]pyridine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H4BrNS |
| Molecular Weight: | 214.085 |
| Synonyms: | 3-Bromothieno[3,2-b]pyridine;thieno[3,2-b]pyridine, 3-bromo-; |
| Density: | 1.748 g/cm3 |
| Boiling Point: | 308.327 °C at 760 mmHg |
| Flash Point: | 140.271 °C |
| PSA: | 41.13000 |
| LogP: | 3.05880 |
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- Total:21 Page 1 of 1 1
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Specification
The Thieno[3,2-b]pyridine,3-bromo-, with the CAS registry number 94191-12-5, has the systematic name of 3-bromothieno[3,2-b]pyridine. It belongs to the following product categories: Building Blocks; Thieno[x,x-y]pyridine. And the molecular formula of the chemical is C7H4BrNS.
The characteristics of Thieno[3,2-b]pyridine,3-bromo- are as followings: (1)ACD/LogP: 2.39; (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): 444; (6)ACD/BCF (pH 7.4): 444; (7)ACD/KOC (pH 5.5): 2732; (8)ACD/KOC (pH 7.4): 2735; (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: 1.718; (14)Molar Refractivity: 48.261 cm3; (15)Molar Volume: 122.437 cm3; (16)Polarizability: 19.132×10-24cm3; (17)Surface Tension: 58.706 dyne/cm; (18)Density: 1.748 g/cm3; (19)Flash Point: 140.271 °C; (20)Enthalpy of Vaporization: 52.708 kJ/mol; (21)Boiling Point: 308.327 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2csc1cccnc12
(2)InChI: InChI=1/C7H4BrNS/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H
(3)InChIKey: TYQIGSHNHLULNO-UHFFFAOYAY