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CAS No.: | 28948-58-5 |
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Name: | 7-CHLORO-THIENO[2,3-C] PYRIDINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H4ClNS |
Molecular Weight: | 169.634 |
Synonyms: | 7-Chlorothieno[2,3-c]pyridine;7-chlorothieno[2,3-c]pyridine;thieno[2,3-c]pyridine, 7-chloro-; |
Density: | 1.435 g/cm3 |
Boiling Point: | 296.5 °C at 760 mmHg |
Flash Point: | 133.1 °C |
PSA: | 41.13000 |
LogP: | 2.94970 |
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The Thieno[2,3-c]pyridine,7-chloro-, with the CAS registry number 28948-58-5, has the systematic name of 7-chlorothieno[2,3-c]pyridine. It belongs to the product category of API intermediates. And the molecular formula of this chemical is C7H4ClNS.
The physical properties of Thieno[2,3-c]pyridine,7-chloro- are as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.84; (6)ACD/BCF (pH 7.4): 39.89; (7)ACD/KOC (pH 5.5): 486.37; (8)ACD/KOC (pH 7.4): 486.95; (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: 1.695; (14)Molar Refractivity: 45.46 cm3; (15)Molar Volume: 118.2 cm3; (16)Polarizability: 18.02×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.435 g/cm3; (19)Flash Point: 133.1 °C; (20)Enthalpy of Vaporization: 51.48 kJ/mol; (21)Boiling Point: 296.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00253 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nccc2ccsc12
(2)InChI: InChI=1/C7H4ClNS/c8-7-6-5(1-3-9-7)2-4-10-6/h1-4H
(3)InChIKey: HRHLEPHFARWKKU-UHFFFAOYAR