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| CAS No.: | 28588-76-3 |
|---|---|
| Name: | Bis(2-methyl-3-furyl)tetrasulfide |
| Molecular Structure: | |
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| Formula: | C10H10O2S4 |
| Molecular Weight: | 290.452 |
| Synonyms: | Bis(2-methyl-3-furyl)tetrasulfide;Furan, 3,3'-(1,4-tetrasulfanediyl)bis[2-methyl-;3,3'-(1,4-Tetrasulfanediyl)bis[2-methylfuran];3,3'-Tetrathiobis[2-methylfuran]; |
| Density: | 1.43 g/cm3 |
| Boiling Point: | 396.9 °C at 760 mmHg |
| Flash Point: | 193.8 °C |
| PSA: | 127.48000 |
| LogP: | 5.58520 |
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Specification
The CAS register number of Bis(2-methyl-3-furyl)tetrasulfide is 28588-76-3. It also can be called as Furan, 3,3'-(1,4-tetrasulfanediyl)bis[2-methyl- and the systematic name about this chemical is 2-methyl-3-[(2-methyl-3-furyl)disulfanyldisulfanyl]furan. The molecular formula about this chemical is C10H10O2S4 and molecular weight is 290.44. It belongs to the Sulfide Flavor.
Physical properties about Bis(2-methyl-3-furyl)tetrasulfide are: (1)ACD/LogP: 6.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.71; (4)ACD/LogD (pH 7.4): 6.71; (5)#H bond acceptors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 127.48Å2; (8)Index of Refraction: 1.691; (9)Molar Refractivity: 77.73 cm3; (10)Molar Volume: 202.9 cm3; (11)Polarizability: 30.81x10-24cm3; (12)Surface Tension: 63.9 dyne/cm; (13)Enthalpy of Vaporization: 62.2 kJ/mol; (14)Boiling Point: 396.9 °C at 760 mmHg; (15)Vapour Pressure: 3.78E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc2occc2SSSSc1ccoc1C
(2)InChI: InChI=1/C10H10O2S4/c1-7-9(3-5-11-7)13-15-16-14-10-4-6-12-8(10)2/h3-6H,1-2H3
(3)InChIKey: WCQMHJWTXQMUQE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H10O2S4/c1-7-9(3-5-11-7)13-15-16-14-10-4-6-12-8(10)2/h3-6H,1-2H3
(5)Std. InChIKey: WCQMHJWTXQMUQE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 220mg/kg (220mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |