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Basic Information
CAS No.: 195602-17-6
Name: 2,3-DIHYDRO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)THIENO[3,4-B][1,4]DIOXINE
Article Data: 22
Molecular Structure:
Molecular Structure of 195602-17-6 (2,3-DIHYDRO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)THIENO[3,4-B][1,4]DIOXINE)
Formula: C12H10O4S2
Molecular Weight: 282.341
Synonyms: 2,2',3,3'-Tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine;2,3-Dihydro-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thieno[3,4-b][1,4]dioxine;
Density: 1.474 g/cm3
Melting Point: 204-205 °C
Boiling Point: 440 °C at 760 mmHg
Flash Point: 219.9 °C
PSA: 93.40000
LogP: 3.01900
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Specification

The 5,5'-Bithieno[3,4-b]-1,4-dioxin,2,2',3,3'-tetrahydro-, with the CAS registry number 195602-17-6, is also known as 2,2',3,3'-Tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine. This chemical's molecular formula is C12H10O4S2 and molecular weight is 282.34. What's more, its IUPAC name is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Physical properties of 5,5'-Bithieno[3,4-b]-1,4-dioxin,2,2',3,3'-tetrahydro- are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 93.4 Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 69.15 cm3; (9)Molar Volume: 191.5 cm3; (10)Polarizability: 27.41×10-24cm3; (11)Surface Tension: 62.1 dyne/cm; (12)Density: 1.474 g/cm3; (13)Flash Point: 219.9 °C; (14)Enthalpy of Vaporization: 67.02 kJ/mol; (15)Boiling Point: 440 °C at 760 mmHg; (16)Vapour Pressure: 1.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(scc2OCC1)c4scc3OCCOc34
(2)Std. InChI: InChI=1S/C12H10O4S2/c1-3-15-9-7(13-1)5-17-11(9)12-10-8(6-18-12)14-2-4-16-10/h5-6H,1-4H2
(3)Std. InChIKey: XECCJSBEUDPALF-UHFFFAOYSA-N