Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Tetrahydro-2H-pyran-4-yl methanesulfonate |
EINECS | N/A |
CAS No. | 134419-59-3 | Density | 1.26 g/cm3 |
PSA | 60.98000 | LogP | 1.22240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H12O4S | Boiling Point | 329.1 °C at 760 mmHg |
Molecular Weight | 180.225 | Flash Point | 152.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2H-3,4,5,6-tetrahydropyran-4-yl methylsulfonate; |
Article Data | 61 |
The systematic name of Tetrahydro-2H-pyran-4-yl methanesulfonate is tetrahydro-2H-pyran-4-yl methanesulfonate. With the CAS registry number 134419-59-3, it is also named as 2H-3,4,5,6-tetrahydropyran-4-yl methylsulfonate. The product's categories are Pyrans, Piperidines & Piperazines. In addition, its molecular formula is C6H12O4S and molecular weight is 180.2221.
The other characteristics of Tetrahydro-2H-pyran-4-yl methanesulfonate can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.35; (5)ACD/KOC (pH 7.4): 14.35; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 60.98 Å2; (10)Index of Refraction: 1.473; (11)Molar Refractivity: 40.05 cm3; (12)Molar Volume: 142.5 cm3; (13)Polarizability: 15.88×10-24cm3; (14)Surface Tension: 40.2 dyne/cm; (15)Density: 1.26 g/cm3; (16)Flash Point: 152.8 °C; (17)Enthalpy of Vaporization: 54.88 kJ/mol; (18)Boiling Point: 329.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000348 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(OC1CCOCC1)C
(2)InChI: InChI=1/C6H12O4S/c1-11(7,8)10-6-2-4-9-5-3-6/h6H,2-5H2,1H3
(3)InChIKey: GSEZHCLWHDZJAB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H12O4S/c1-11(7,8)10-6-2-4-9-5-3-6/h6H,2-5H2,1H3
(5)Std. InChIKey: GSEZHCLWHDZJAB-UHFFFAOYSA-N