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CAS No.: | 17115-51-4 |
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Name: | 1,1-DIOXO-TETRAHYDRO-1LAMBDA*6*-THIOPHEN-3-ONE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C4H6O3S |
Molecular Weight: | 134.156 |
Synonyms: | 3-Oxotetrahydrothiophene 1,1-dioxide;3-Oxotetrahydrothiophene dioxide;3-Thiacyclopentanone dioxide;4,5-Dihydro-3(2H)-thiophenone 1,1-dioxide;Tetrahydrothiophen-3-one 1,1-dioxide;Tetrahydrothiophen-3-oxo-1,1-dioxide;Tetrahydrothiophene-3-oxo-1,1-dioxide;1,1-Dioxo-tetrahydrothiophen-3-one; |
Density: | 1.461 g/cm3 |
Melting Point: | 62 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 393.3 °C at 760 mmHg |
Flash Point: | 282.7 °C |
PSA: | 59.59000 |
LogP: | 0.45480 |
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The 3(2H)-Thiophenone,dihydro-, 1,1-dioxide is an organic compound with the formula C4H6O3S. The systematic name of this chemical is Dihydrothiophen-3(2H)-one 1,1-dioxide. With the CAS registry number 17115-51-4, it is also named as Tetrahydrothiophene-3-oxo-1,1-dioxide. Besides, its molecular weight is 134.1536.
Physical properties about 3(2H)-Thiophenone,dihydro-, 1,1-dioxide are: (1)ACD/LogP: -1.93; (2)ACD/LogD (pH 5.5): -1.93; (3)ACD/LogD (pH 7.4): -1.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.13; (7)ACD/KOC (pH 7.4): 2.13; (8)#H bond acceptors: 3; (9)Polar Surface Area: 59.59 Å2; (10)Index of Refraction: 1.51; (11)Molar Refractivity: 27.45 cm3; (12)Molar Volume: 91.7 cm3; (13)Polarizability: 10.88×10-24 cm3; (14)Surface Tension: 51 dyne/cm; (15)Density: 1.461 g/cm3; (16)Flash Point: 282.7 °C; (17)Enthalpy of Vaporization: 64.32 kJ/mol; (18)Boiling Point: 393.3 °C at 760 mmHg; (19)Vapour Pressure: 2.15E-06 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3,3-Dimethoxytetrahydrothiophen-1,1-dioxide. This reaction will need reagent HCl. The reaction time is 1 hour. The yield is about 82%.
Uses of 3(2H)-Thiophenone,dihydro-, 1,1-dioxide: it can be used to produce 1,1-Dioxo-2-(1H-quinolin-2-ylidene)-tetrahydro-1l6-thiophen-3-one. It will need reagent aceti anhydride and solvent 1,2-Dimethoxy-ethane. The yield is about 68%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-3H2
(2)InChIKey: UOEHJNULMZMQNM-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-3H2
(4)Std. InChIKey: UOEHJNULMZMQNM-UHFFFAOYSA-N