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| CAS No.: | 28783-17-7 |
|---|---|
| Name: | Thieno[2,3-c]pyridine, 3-bromo- (8CI,9CI) |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H4BrNS |
| Molecular Weight: | 214.08236 |
| Synonyms: | 3-Bromothieno[2,3-c]pyridine;3-bromothieno[2,3-c]pyridine;thieno[2,3-c]pyridine, 3-bromo-; |
| EINECS: | 604-604-1 |
| Density: | 1.748 g/cm3 |
| Boiling Point: | 317.6 °C at 760 mmHg |
| Flash Point: | 145.9 °C |
| PSA: | 41.13000 |
| LogP: | 3.05880 |
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Specification
The Thieno[2,3-c]pyridine,3-bromo-, with the CAS registry number 28783-17-7, has the systematic name of 3-bromothieno[2,3-c]pyridine. It belongs to the product categories: Thienopyridine; Building Blocks; Thieno[x,x-y]pyridine. And the molecular formula of the chemical is C7H4BrNS.
The characteristics of Thieno[2,3-c]pyridine,3-bromo- are as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.15; (6)ACD/BCF (pH 7.4): 47.55; (7)ACD/KOC (pH 5.5): 547.53; (8)ACD/KOC (pH 7.4): 552.25; (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: 48.26 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 19.13×10-24cm3; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.748 g/cm3; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 53.68 kJ/mol; (21)Boiling Point: 317.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000708 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c2ccncc2sc1
(2)InChI: InChI=1/C7H4BrNS/c8-6-4-10-7-3-9-2-1-5(6)7/h1-4H
(3)InChIKey: YTWCEXXHTNFGKR-UHFFFAOYAJ