Product Name

  • Name

    1,1-DIOXO-TETRAHYDRO-1LAMBDA*6*-THIOPHEN-3-ONE

  • EINECS
  • CAS No. 17115-51-4
  • Article Data12
  • CAS DataBase
  • Density 1.461 g/cm3
  • Solubility
  • Melting Point 62 °C(Solv: ethanol (64-17-5))
  • Formula C4H6O3S
  • Boiling Point 393.3 °C at 760 mmHg
  • Molecular Weight 134.156
  • Flash Point 282.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 17115-51-4 (1,1-DIOXO-TETRAHYDRO-1LAMBDA*6*-THIOPHEN-3-ONE)
  • Hazard Symbols
  • 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;
  • PSA 59.59000
  • LogP 0.45480

3(2H)-Thiophenone,dihydro-, 1,1-dioxide Specification

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

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