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CAS No.: | 272-14-0 |
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Name: | Thieno[3,2-c]pyridine |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C7H5NS |
Molecular Weight: | 135.189 |
Synonyms: | 5-Azathianaphthene; |
EINECS: | 205-984-7 |
Density: | 1.272 g/cm3 |
Melting Point: | 47-49℃ |
Boiling Point: | 255.1 °C at 760 mmHg |
Flash Point: | 112.3 °C |
PSA: | 41.13000 |
LogP: | 2.29630 |
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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, |