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CAS No.: | 28588-73-0 |
---|---|
Name: | 3,3'-dithiobis[2,5-dimethylfuran] |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H14O2S2 |
Molecular Weight: | 254.374 |
Synonyms: | Bis-(2,5-dimethyl-3-furyl)disulfide; |
EINECS: | 249-093-1 |
Density: | 1.23 g/cm3 |
Boiling Point: | 305.335 °C at 760 mmHg |
Flash Point: | 138.462 °C |
PSA: | 76.88000 |
LogP: | 4.90560 |
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The Furan,3,3'-dithiobis[2,5-dimethyl-, with CAS registry number 28588-73-0, belongs to the following product category: Sulfide Flavor. It has the systematic name of 3,3'-disulfanediylbis(2,5-dimethylfuran). Besides this, it is also called bis(2,5-Dimethyl-3-furyl) disulfide. And the chemical formula of this chemical is C12H14O2S2. What's more, its EINECS is 249-093-1.
Physical properties of Furan,3,3'-dithiobis[2,5-dimethyl-: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.57; (4)ACD/LogD (pH 7.4): 4.57; (5)ACD/BCF (pH 5.5): 1759.05; (6)ACD/BCF (pH 7.4): 1759.05; (7)ACD/KOC (pH 5.5): 7320.96; (8)ACD/KOC (pH 7.4): 7320.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.88 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 70.94 cm3; (15)Molar Volume: 206.7 cm3; (16)Polarizability: 28.12×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 138.5 °C; (20)Enthalpy of Vaporization: 52.4 kJ/mol; (21)Boiling Point: 305.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00149 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S(Sc1cc(oc1C)C)c2cc(oc2C)C
(2)InChI: InChI=1/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3
(3)InChIKey: JDWCALSZHJBMIQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3
(5)Std. InChIKey: JDWCALSZHJBMIQ-UHFFFAOYSA-N