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CAS No.: | 22407-40-5 |
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Name: | 2-BENZENESULFONYLTHIOPHENE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H8O2S2 |
Molecular Weight: | 224.304 |
Synonyms: | 2-(Phenylsulfonyl)thiophene;NSC 140131;Phenyl 2-thienyl sulfone; |
Density: | 1.34 g/cm3 |
Melting Point: | 123-125 °C |
Boiling Point: | 391.6 °C at 760 mmHg |
Flash Point: | 190.6 °C |
Hazard Symbols: | C |
Risk Codes: | R35 |
PSA: | 70.76000 |
LogP: | 3.66170 |
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The Thiophene,2-(phenylsulfonyl)- is an organic compound with the formula C10H8O2S2. The IUPAC name of this chemical is 2-(benzenesulfonyl)thiophene. With the CAS registry number 22407-40-5, it is also named as 2-(Phenylsulfonyl)thiophen. Besides, it should be stored in a closed cool and dry place.
Physical properties about Thiophene,2-(phenylsulfonyl)- are: (1)ACD/LogP: 2.08; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 70.76 Å2; (5)Index of Refraction: 1.615; (6)Molar Refractivity: 58.42 cm3; (7)Molar Volume: 167.2 cm3; (8)Polarizability: 23.15×10-24cm3; (9)Surface Tension: 48.7 dyne/cm; (10)Density: 1.34 g/cm3; (11)Flash Point: 190.6 °C; (12)Enthalpy of Vaporization: 61.62 kJ/mol; (13)Boiling Point: 391.6 °C at 760 mmHg; (14)Vapour Pressure: 5.5E-06 mmHg at 25°C.
Uses of Thiophene,2-(phenylsulfonyl)-: it can be used to produce 2-phenylsulfonyl-3-thiophenecarboxylic acid at temperature of -40 - -30 °C. It will need reagent n-BuLi and solvents toluene, diethyl ether with reaction time of 360 min. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)c2sccc2
(2)InChI: InChI=1/C10H8O2S2/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
(3)InChIKey: SRWXKQSZSIGHCO-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H8O2S2/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
(5)Std. InChIKey: SRWXKQSZSIGHCO-UHFFFAOYSA-N