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Basic Information
CAS No.: 69892-02-0
Name: 5,6-DIHYDRO-3-METHYL-N-PHENYL-1,4-OXATHIN-2-CARBOXAMIDE
Molecular Structure:
Molecular Structure of 69892-02-0 (5,6-DIHYDRO-3-METHYL-N-PHENYL-1,4-OXATHIN-2-CARBOXAMIDE)
Formula: C12H13NO2S
Molecular Weight: 235.307
Synonyms: 5,6-Dihydro-3-methyl-N-phenyl-1,4-oxathiin-2-carboxamide;
Density: 1.273 g/cm3
Boiling Point: 420.6 °C at 760 mmHg
Flash Point: 208.2 °C
PSA: 67.12000
LogP: 3.26950
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Specification

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