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Tetrahydrothiopyran-4-carbaldehyde

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Name

Tetrahydrothiopyran-4-carbaldehyde

EINECS N/A
CAS No. 50675-19-9 Density 1.157 g/cm3
PSA 42.37000 LogP 1.32850
Solubility N/A Melting Point N/A
Formula C6H10OS Boiling Point 217 °C at 760 mmHg
Molecular Weight 130.211 Flash Point 97.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 50675-19-9 (Tetrahydrothiopyran-4-carbaldehyde) Hazard Symbols N/A
Synonyms

Tetrahydro-2H-thiopyran-4-carboxaldehyde;Tetrahydrothiopyran-4-carboxaldehyde;

Article Data 14

Tetrahydrothiopyran-4-carbaldehyde Specification

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

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