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68398-18-5

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Basic Information
CAS No.: 68398-18-5
Name: 2,8-EPITHIO-P-MENTHANE
Molecular Structure:
Molecular Structure of 68398-18-5 (2,8-EPITHIO-P-MENTHANE)
Formula: C10H18S
Molecular Weight: 170.319
Synonyms: 2,8-Epithio-p-menthane;4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane;
EINECS: 269-970-2
Density: 0.941 g/cm3
Boiling Point: 222.7 °C at 760 mmHg
Flash Point: 79 °C
PSA: 25.30000
LogP: 3.31660
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Specification

The 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, with the CAS registry number 68398-18-5, is also known as 2,8-Epithio-p-menthane. Its EINECS number is 269-970-2 and its systematic name is 4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane. This chemical's molecular formula is C10H18S and molecular weight is 170.31. What's more, it belongs to the product category of Flavor.

Physical properties of 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 491.13; (6)ACD/BCF (pH 7.4): 491.13; (7)ACD/KOC (pH 5.5): 2937.39; (8)ACD/KOC (pH 7.4): 2937.39; (9)Polar Surface Area: 25.3 Å2; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 52.52 cm3; (12)Molar Volume: 180.8 cm3; (13)Polarizability: 20.82×10-24 cm3; (14)Surface Tension: 31 dyne/cm; (15)Density: 0.941 g/cm3; (16)Flash Point: 79 °C; (17)Enthalpy of Vaporization: 44.05 kJ/mol; (18)Boiling Point: 222.7 °C at 760 mmHg; (19)Vapour Pressure: 0.149 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S1C(C2CC1C(C)CC2)(C)C
(2)InChI: InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
(3)InChIKey: FAXNZPOZWCWYBD-UHFFFAOYSA-N