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CAS No.: | 50675-19-9 |
---|---|
Name: | Tetrahydrothiopyran-4-carbaldehyde |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H10OS |
Molecular Weight: | 130.211 |
Synonyms: | Tetrahydro-2H-thiopyran-4-carboxaldehyde;Tetrahydrothiopyran-4-carboxaldehyde; |
Density: | 1.157 g/cm3 |
Boiling Point: | 217 °C at 760 mmHg |
Flash Point: | 97.2 °C |
PSA: | 42.37000 |
LogP: | 1.32850 |
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The Tetrahydrothiopyran-4-carbaldehyde with its cas register number is 50675-19-9. It also can be called as Tetrahydro-2H-thiopyran-4-carboxaldehyde and the Systematic name about this chemical is tetrahydro-2H-thiopyran-4-carbaldehyde.
Physical properties about Tetrahydrothiopyran-4-carbaldehyde are: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): 0.93; (3)ACD/LogD (pH 7.4): 0.93; (4)ACD/BCF (pH 5.5): 3.01; (5)ACD/BCF (pH 7.4): 3.01; (6)ACD/KOC (pH 5.5): 76.65; (7)ACD/KOC (pH 7.4): 76.65; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.37Å2; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 37.82 cm3; (13)Molar Volume: 112.5 cm3; (14)Polarizability: 14.99x10-24cm3; (15)Surface Tension: 44.5 dyne/cm; (16)Enthalpy of Vaporization: 45.34 kJ/mol; (17)Vapour Pressure: 0.136 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC1CCSCC1
(2)InChI: InChI=1/C6H10OS/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2
(3)InChIKey: BQIZZLLLLJVFQT-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H10OS/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2
(5)Std. InChIkey: BQIZZLLLLJVFQT-UHFFFAOYSA-N