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CAS No.: | 16718-05-1 |
---|---|
Name: | 3-BENZENESULFONYLTHIOPHENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H8O2S2 |
Molecular Weight: | 224.2993 |
Synonyms: | 3-Benzenesulphonylthiophene; |
Density: | 1.34g/cm3 |
Melting Point: | 115 °C |
Boiling Point: | 391.6 °C at 760 mmHg |
Flash Point: | 190.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
PSA: | 70.76000 |
LogP: | 3.66170 |
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The Thiophene,3-(phenylsulfonyl)-, with the CAS registry number 16718-05-1, is also known as 3-Benzenesulphonylthiophene. This chemical's molecular formula is C10H8O2S2 and molecular weight is 224.2993. What's more, its systematic name is called 3-(Phenylsulfonyl)thiophene. It should be stored at room temperature away from light. And keep it dry and ventilated.
Physical properties about this chemical are: (1)ACD/LogP: 2.08; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.35; (6)ACD/BCF (pH 7.4): 22.35; (7)ACD/KOC (pH 5.5): 321.69; (8)ACD/KOC (pH 7.4): 321.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.76 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 58.42 cm3; (15)Molar Volume: 167.2 cm3; (16)Surface Tension: 48.7 dyne/cm; (17)Density: 1.34 g/cm3; (18)Flash Point: 190.6 °C; (19)Enthalpy of Vaporization: 61.62 kJ/mol; (20)Boiling Point: 391.6 °C at 760 mmHg; (21)Vapour Pressure: 5.5E-06 mmHg at 25 °C; (22)Melting Point: 115 °C.
Uses of Thiophene,3-(phenylsulfonyl)-: it is used to produce other chemicals. For example, it is used to produce 3-Phenylsulfonyl-2-thiophenealdehyde.
The reaction occurs with reagent BuLi and solvents Diethyl ether, Tetrahydrofuran at temperature of 0 °C for 1 hours. The yield is 63 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccccc1)c2ccsc2
(2) InChI: InChI=1/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: LGGLKPFTYFIQSY-UHFFFAOYAL