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Name |
2H-Thiopyran,tetrahydro-, 1-oxide |
EINECS | N/A |
CAS No. | 4988-34-5 | Density | 1.14 g/cm3 |
PSA | 0.00000 | LogP | 1.82490 |
Solubility | N/A | Melting Point |
67.0-68.2 °C |
Formula | C5H10OS | Boiling Point | 277 °C at 760 mmHg |
Molecular Weight | 118.2 | Flash Point | 121.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Thiane 1-oxide; |
Article Data | 2 |
The 2H-Thiopyran,tetrahydro-, 1-oxide, with the CAS registry number of 4988-34-5, is also known as Thiane 1-oxide. Its molecular formula is C5H10OS and molecular weight is 118.1973. What's more, its systematic name is Tetrahydro-2H-thiopyran 1-oxide.
Physical properties about the 2H-Thiopyran,tetrahydro-, 1-oxide are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.51; (8)ACD/KOC (pH 7.4): 14.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.28 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 32.02 cm3; (15)Molar Volume: 102.9 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 121.4 °C; (19)Enthalpy of Vaporization: 49.49 kJ/mol; (20)Boiling Point: 277 °C at 760 mmHg; (21)Vapour Pressure: 0.00781 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S1CCCCC1
(2) InChI: InChI=1/C5H10OS/c6-7-4-2-1-3-5-7/h1-5H2
(3) InChIKey: NNLBRYQGMOYARS-UHFFFAOYAF