2-Furancarboxaldehyde,5-(2-benzothiazolyl)- supplier

Name
5-(1,3-BENZOTHIAZOL-2-YL)-2-FURALDEHYDE
EINECS
CAS No. 34653-56-0
Article Data7
CAS DataBase
Density 1.381 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 67.59000
LogP 1.90380

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

Product Name

5-(1,3-BENZOTHIAZOL-2-YL)-2-FURALDEHYDE

2-Furancarboxaldehyde,5-(2-benzothiazolyl)- Specification

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