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CAS No.: | 5718-75-2 |
---|---|
Name: | THIOCINEOLE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H18S |
Molecular Weight: | 170.319 |
Synonyms: | 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, exo-(-)-;p-Menthane, 2,8-epithio- (7CI,8CI);exo-(-)-4,7,7-Trimethyl-6-thiabicyclo(3.2.1)octane; |
EINECS: | 227-219-6 |
Density: | 0.941 g/cm3 |
Boiling Point: | 222.7 °C at 760 mmHg |
Flash Point: | 79 °C |
Hazard Symbols: | N |
Risk Codes: | 50/53 |
Safety: | 60-61 |
PSA: | 25.30000 |
LogP: | 3.46070 |
The CAS register number of 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, (1R,4R,5R)- is 5718-75-2. It also can be called as exo-(-)-4,7,7-Trimethyl-6-thiabicyclo(3.2.1)octane and the IUPAC name about this chemical is 4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane. The molecular formula about this chemical is C10H18S and the molecular weight is 170.31.
Physical properties about 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, (1R,4R,5R)- are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 3.84; (3)ACD/LogD (pH 7.4): 3.84; (4)ACD/BCF (pH 5.5): 491.13; (5)ACD/BCF (pH 7.4): 491.13; (6)ACD/KOC (pH 5.5): 2937.39; (7)ACD/KOC (pH 7.4): 2937.39; (8)Polar Surface Area: 25.3Å2; (9)Index of Refraction: 1.492; (10)Molar Refractivity: 52.52 cm3; (11)Molar Volume: 180.8 cm3; (12)Polarizability: 20.82x10-24cm3; (13)Surface Tension: 31 dyne/cm; (14)Enthalpy of Vaporization: 44.05 kJ/mol; (15)Boiling Point: 222.7 °C at 760 mmHg; (16)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=1/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
(3)InChIKey: FAXNZPOZWCWYBD-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
(5)Std. InChIKey: FAXNZPOZWCWYBD-UHFFFAOYSA-N