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| CAS No.: | 32358-91-1 |
|---|---|
| Name: | 5-PROPIONYL-2,2'-BITHIENYL |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C11H10OS2 |
| Molecular Weight: | 222.332 |
| Synonyms: | 1-Propanone,1-[5-(2-thienyl)-2-thienyl]- (6CI,7CI,8CI);1-(5-(2-thienyl)-2-thienyl)propan-1-one; |
| Density: | 1.223 g/cm3 |
| Boiling Point: | 373.7 °C at 760 mmHg |
| Flash Point: | 179.8 °C |
| Appearance: | Green crsytalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 73.55000 |
| LogP: | 4.06930 |
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Specification
The 1-Propanone,1-[2,2'-bithiophen]-5-yl-, with the CAS registry number 32358-91-1, has the systematic name of 1-(2,2'-bithiophen-5-yl)propan-1-one. It is a kind of green crsytalline powder, and the molecular formula of this chemical is C11H10OS2.
The physical properties of 1-Propanone,1-[2,2'-bithiophen]-5-yl- are as following: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 415.46; (6)ACD/BCF (pH 7.4): 415.46; (7)ACD/KOC (pH 5.5): 2605.83; (8)ACD/KOC (pH 7.4): 2605.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 73.55 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 62.27 cm3; (15)Molar Volume: 181.7 cm3; (16)Polarizability: 24.68×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.223 g/cm3; (19)Flash Point: 179.8 °C; (20)Enthalpy of Vaporization: 62.1 kJ/mol; (21)Boiling Point: 373.7 °C at 760 mmHg; (22)Vapour Pressure: 8.78E-06 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2sc(c1sccc1)cc2)CC
(2)Std. InChI: InChI=1S/C11H10OS2/c1-2-8(12)9-5-6-11(14-9)10-4-3-7-13-10/h3-7H,2H2,1H3
(3)Std. InChIKey: MRWPBEHIJTUNGC-UHFFFAOYSA-N