Furan,3-(ethyldithio)-2-methyl- (61197-07-7)

The 3-(Ethyldithio)-2-methylfuran, with the cas registry number 61197-07-7, is also known as Furan, 3-(ethyldithio)-2-methyl. It belongs to the product categories of sulfide flavor. Its EINECS number is 262-649-8. This chemical's molecular formula is C₇H₁₀OS₂ and formula weight is 174.28. What's more, both its IUPAC name and systematic name are the same which is called 3-(Ethyldisulfanyl)-2-methylfuran.

Physical properties about this chemical are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 456.85; (6)ACD/BCF (pH 7.4): 456.85; (7)ACD/KOC (pH 5.5): 2789.15; (8)ACD/KOC (pH 7.4): 2789.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.74 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 49.14 cm³; (15)Molar Volume: 149.1 cm³; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.16 g/cm³; (18)Flash Point: 82 °C; (19)Enthalpy of Vaporization: 43.01 kJ/mol; (20)Boiling Point: 212 °C at 760 mmHg; (21)Vapour Pressure: 0.257 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCSSC1=C(OC=C1)C
(2)InChI: InChI=1S/C7H10OS2/c1-3-9-10-7-4-5-8-6(7)2/h4-5H,3H2,1-2H3
(3)InChIKey: ZPINLCXQMSVOQT-UHFFFAOYSA-N