Ethanone, 1-thieno[2,3-b]pyridin-5-yl- supplier

Name
1-(Thieno[2,3-b]pyridin-5-yl)ethanone
EINECS
CAS No. 18354-57-9
Article Data5
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point 117 °C
Formula C₉H₇NOS
Boiling Point 305.631 °C at 760 mmHg
Molecular Weight 177.227
Flash Point 138.641 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Thieno[2,3-b]pyridin-5-yl)ethanone;
PSA 58.20000
LogP 2.49890

Ethanone, 1-thieno[2,3-b]pyridin-5-yl- Specification

The CAS registry number of Ethanone, 1-thieno[2,3-b]pyridin-5-yl- is 18354-57-9. This chemical's molecular formula is C₉H₇NOS and molecular weight is 177.223. What's more, its systematic name is called 1-(Thieno[2,3-b]pyridin-5-yl)ethanone.

Physical properties about Ethanone, 1-thieno[2,3-b]pyridin-5-yl- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 65; (6)ACD/BCF (pH 7.4): 65; (7)ACD/KOC (pH 5.5): 693; (8)ACD/KOC (pH 7.4): 693; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 50.599 cm³; (15)Molar Volume: 137.783 cm³; (16)Surface Tension: 54.054 dyne/cm; (17)Density: 1.286 g/cm³; (18)Flash Point: 138.641 °C; (19)Enthalpy of Vaporization: 54.609 kJ/mol; (20)Boiling Point: 305.631 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cc2ccsc2nc1
(2) InChI: InChI=1/C9H7NOS/c1-6(11)8-4-7-2-3-12-9(7)10-5-8/h2-5H,1H3
(3) InChIKey: JWWSKIJONLURKI-UHFFFAOYAM

Product Name

1-(Thieno[2,3-b]pyridin-5-yl)ethanone

Ethanone, 1-thieno[2,3-b]pyridin-5-yl- Specification

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