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CAS No.: | 59207-24-8 |
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Name: | 4-CHLORO-2-METHYLTHIENO[3,2-C]PYRIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H6ClNS |
Molecular Weight: | 183.661 |
Synonyms: | 4-CHLORO-2-METHYLTHIENO[3,2-C]PYRIDINE |
Density: | 1.366 g/cm3 |
Boiling Point: | 286.253 °C at 760 mmHg |
Flash Point: | 126.922 °C |
PSA: | 41.13000 |
LogP: | 3.25810 |
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The 4-Chloro-2-methylthieno[3,2-c]pyridine, with CAS registry number 59207-24-8, belongs to the following product category: Chiral Chemicals. It has the systematic name of 4-chloro-2-methylthieno[3,2-c]pyridine. Besides this, it is also called Thieno[3,2-c]pyridine, 4-chloro-2-methyl-. And the chemical formula of this chemical is C8H6ClNS.
Physical properties of 4-Chloro-2-methylthieno[3,2-c]pyridine: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.891; (4)ACD/LogD (pH 7.4): 2.891; (5)ACD/BCF (pH 5.5): 92.678; (6)ACD/BCF (pH 7.4): 92.678; (7)ACD/KOC (pH 5.5): 890.375; (8)ACD/KOC (pH 7.4): 890.377; (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: 1.671; (14)Molar Refractivity: 50.291 cm3; (15)Molar Volume: 134.478 cm3; (16)Polarizability: 19.937×10-24cm3; (17)Surface Tension: 52.466 dyne/cm; (18)Enthalpy of Vaporization: 50.427 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2c(s1)ccnc2Cl
(2)InChI: InChI=1/C8H6ClNS/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
(3)InChIKey: JMWVYCBWLOCZAB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H6ClNS/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
(5)Std. InChIKey: JMWVYCBWLOCZAB-UHFFFAOYSA-N