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CAS No.: | 223575-69-7 |
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Name: | 2-THIAZOL-2-YL-BENZALDEHYDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H7NOS |
Molecular Weight: | 189.238 |
Synonyms: | 2-(Thiazol-2-yl)benzaldehyde; |
EINECS: | 201-215-5 |
Density: | 1.269g/cm3 |
Boiling Point: | 356.931 °C at 760 mmHg |
Flash Point: | 169.666 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 58.20000 |
LogP: | 2.62260 |
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The Benzaldehyde,2-(2-thiazolyl)-, with CAS registry number 223575-69-7, has the systematic name of 2-(1,3-thiazol-2-yl)benzaldehyde. Besides this, it is also called 2-Thiazol-2-yl-benzaldehyde. And the chemical formula of this chemical is C10H7NOS.
Physical properties of Benzaldehyde,2-(2-thiazolyl)-: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 335; (8)ACD/KOC (pH 7.4): 335; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 54.073 cm3; (15)Molar Volume: 149.087 cm3; (16)Polarizability: 21.436×10-24cm3; (17)Surface Tension: 53.388 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 169.666 °C; (20)Enthalpy of Vaporization: 60.225 kJ/mol; (21)Boiling Point: 356.931 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1c2nccs2
(2)InChI: InChI=1/C10H7NOS/c12-7-8-3-1-2-4-9(8)10-11-5-6-13-10/h1-7H
(3)InChIKey: PFOXNJMCQNJJES-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H7NOS/c12-7-8-3-1-2-4-9(8)10-11-5-6-13-10/h1-7H
(5)Std. InChIKey: PFOXNJMCQNJJES-UHFFFAOYSA-N