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- 2-Furancarboxaldehyde, 5-(hydroxy-d-methyl)-
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- 2-Furancarboxaldehyde,5-(2-benzothiazolyl)-
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Cas Database |
| Name |
2-Furancarboxaldehyde,5-(2-benzothiazolyl)- |
EINECS | N/A |
| CAS No. | 34653-56-0 | Density | 1.381 g/cm3 |
| PSA | 67.59000 | LogP | 1.90380 |
| Solubility | N/A | Melting Point |
176 °C |
| Formula | C12H7NO2S | Boiling Point | 431.5 °C at 760 mmHg |
| Molecular Weight | 229.259 | Flash Point | 214.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-(2-Benzothiazolyl)furfural;5-(1,3-Benzothiazol-2-yl)-2-furaldehyde;5-(1,3-Benzothiazol-2-yl)furan-2-carbaldehyde;5-Benzothiazol-2-ylfuran-2-carbaldehyde;5-Benzothiazol-2-yl-furan-2-carbaldehyde; |
Article Data | 7 |
2-Furancarboxaldehyde,5-(2-benzothiazolyl)- Specification
The 2-Furancarboxaldehyde,5-(2-benzothiazolyl)-, with the CAS registry number 34653-56-0, is also known as 5-Benzothiazol-2-ylfuran-2-carbaldehyde. This chemical's molecular formula is C12H7NO2S and molecular weight is 229.25. What's more, its systematic name is 5-(1,3-benzothiazol-2-yl)furan-2-carbaldehyde.
Physical properties of 2-Furancarboxaldehyde,5-(2-benzothiazolyl)- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 71.34 Å2; (7)Index of Refraction: 1.7; (8)Molar Refractivity: 64.21 cm3; (9)Molar Volume: 165.9 cm3; (10)Surface Tension: 59.3 dyne/cm; (11)Density: 1.381 g/cm3; (12)Flash Point: 214.8 °C; (13)Enthalpy of Vaporization: 68.71 kJ/mol; (14)Boiling Point: 431.5 °C at 760 mmHg; (15)Vapour Pressure: 1.19E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc3oc(c1nc2ccccc2s1)cc3
(2)InChI: InChI=1S/C12H7NO2S/c14-7-8-5-6-10(15-8)12-13-9-3-1-2-4-11(9)16-12/h1-7H
(3)InChIKey: WTVOYONXUGCDPY-UHFFFAOYSA-N
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