Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,4-Oxathiin-2-carboxamide, 5,6-dihydro-3-methyl-N-phenyl- |
EINECS | N/A |
CAS No. | 69892-02-0 | Density | 1.273 g/cm3 |
PSA | 67.12000 | LogP | 3.26950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H13NO2S | Boiling Point | 420.6 °C at 760 mmHg |
Molecular Weight | 235.307 | Flash Point | 208.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5,6-Dihydro-3-methyl-N-phenyl-1,4-oxathiin-2-carboxamide; |
Article Data | 2 |
The CAS register number of 1,4-Oxathiin-2-carboxamide, 5,6-dihydro-3-methyl-N-phenyl- is 69892-02-0. It also can be called as 3-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide and the IUPAC name about this chemical is 5-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide. The molecular formula about this chemical is C12H13NO2S and the molecular weight is 235.3.
Physical properties about 1,4-Oxathiin-2-carboxamide, 5,6-dihydro-3-methyl-N-phenyl- are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 118.98; (5)ACD/BCF (pH 7.4): 118.98; (6)ACD/KOC (pH 5.5): 1064.73; (7)ACD/KOC (pH 7.4): 1064.75; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.84Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 66.27 cm3; (14)Molar Volume: 184.8 cm3; (15)Polarizability: 26.27x10-24cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Flash Point: 208.2 °C; (18)Enthalpy of Vaporization: 67.44 kJ/mol; (19)Boiling Point: 420.6 °C at 760 mmHg; (20)Vapour Pressure: 2.79E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C=1OCCSC=1C)Nc2ccccc2
(2)InChI: InChI=1/C12H13NO2S/c1-9-11(15-7-8-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
(3)InChIKey: OOIDFJFYUCFPCH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H13NO2S/c1-9-11(15-7-8-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
(5)Std. InChIKey: OOIDFJFYUCFPCH-UHFFFAOYSA-N