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Thieno[3,2-c]pyridine

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Name

Thieno[3,2-c]pyridine

EINECS 205-984-7
CAS No. 272-14-0 Density 1.272 g/cm3
PSA 41.13000 LogP 2.29630
Solubility N/A Melting Point 47-49℃
Formula C7H5NS Boiling Point 255.1 °C at 760 mmHg
Molecular Weight 135.189 Flash Point 112.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 272-14-0 (Thieno[3,2-c]pyridine) Hazard Symbols N/A
Synonyms

5-Azathianaphthene;

Article Data 19

Thieno[3,2-c]pyridine Specification

The Thieno[3,2-c]pyridine, with the CAS registry number 272-14-0, is also known as 5-Azathianaphthene. It belongs to the product categories of Thienopyridine; Building Blocks; Thieno[x,x-y]pyridine. Its EINECS registry number is 205-984-7. This chemical's molecular formula is C7H5NS and molecular weight is 135.1863. Its systematic name is called thieno[3,2-c]pyridine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Thieno[3,2-c]pyridine: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.89; (4)ACD/BCF (pH 5.5): 75.98; (5)ACD/BCF (pH 7.4): 91.95; (6)ACD/KOC (pH 5.5): 731.06; (7)ACD/KOC (pH 7.4): 884.71; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.689; (10)Molar Refractivity: 40.57 cm3; (11)Molar Volume: 106.2 cm3; (12)Surface Tension: 54.2 dyne/cm; (13)Density: 1.272 g/cm3; (14)Flash Point: 112.3 °C; (15)Enthalpy of Vaporization: 47.26 kJ/mol; (16)Boiling Point: 255.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0266 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc1sccc1c2
(2)InChI: InChI=1/C7H5NS/c1-3-8-5-6-2-4-9-7(1)6/h1-5H
(3)InChIKey: MKYRMMMSZSVIGD-UHFFFAOYAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 205mg/kg (205mg/kg)   French Demande Patent Document. Vol. #2334356,

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