Basic information
- Name:
Thieno[2,3-b]pyridine-5-carbonitrile,4-chloro-2-iodo-
- Superlist Name:
- 4-Chloro-2-iodothieno[2,3-b]pyridine-5-carbonitrile
- CAS No.:
700844-18-4
- Molecular Structure:
![Molecular Structure of 700844-18-4 (Thieno[2,3-b]pyridine-5-carbonitrile,4-chloro-2-iodo-)](http://www.lookchem.com/300w/2010/0711/700844-18-4.jpg)
- Formula:
- C8H2ClIN2S
- Molecular Weight:
- 320.54
- Synonyms:
- AG-G-73532;
- Density:
- 2.166 g/cm3
- Boiling Point:
- 429.985 °C at 760 mmHg
- Flash Point:
- 213.848 °C
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Specification
The CAS registry number of 4-Chloro-2-iodothieno[2,3-b]pyridine-5-carbonitrile is 700844-18-4. This chemical's molecular formula is C8H2ClIN2S and molecular weight is 320.54. What's more, its IUPAC name is the same with product name.
Physical properties about 4-Chloro-2-iodothieno[2,3-b]pyridine-5-carbonitrile are: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.52; (4)ACD/LogD (pH 7.4): 4.52; (5)ACD/BCF (pH 5.5): 1603.49; (6)ACD/BCF (pH 7.4): 1603.50; (7)ACD/KOC (pH 5.5): 6851.48; (8)ACD/KOC (pH 7.4): 6851.50; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.92 Å2; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 62.567 cm3; (15)Molar Volume: 148.005 cm3; (16)Polarizability: 24.804×10-24cm3; (17)Surface Tension: 85.02 dyne/cm; (18)Density: 2.166 g/cm3; (19)Flash Point: 213.848 °C; (20)Enthalpy of Vaporization: 68.537 kJ/mol; (21)Boiling Point: 429.985 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(C#N)cnc2sc(I)cc12
(2) InChI: InChI=1S/C8H2ClIN2S/c9-7-4(2-11)3-12-8-5(7)1-6(10)13-8/h1,3H
(3) InChIKey: MDKJXFBGCCSYKK-UHFFFAOYSA-N
