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CAS No. 118854-48-1 Density 1.408 g/cm3
PSA 92.29000 LogP 2.51760
Solubility N/A Melting Point 200 °C
Formula C13H15NO5S Boiling Point 450.485 °C at 760 mmHg
Molecular Weight 297.332 Flash Point 226.246 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 118854-48-1 (4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid isopropyl ester 1,1-dioxide) Hazard Symbols Xi

NSC 640233;

Article Data 4

Isopropyl-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate-1,1-dioxide Specification

The Isopropyl-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate-1,1-dioxide with the CAS number 118854-48-1 is also called 2H-1,2-Benzothiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, 1-methylethyl ester, 1,1-dioxide. The systematic name is propan-2-yl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide. Its molecular formula is C13H15NO5S. This chemical belongs to the following product categories: (1)Organic acids; (2)Intermediate of piroxicam.

The properties of the Isopropyl-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate-1,1-dioxide are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 110; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 92.29 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 72.638 cm3; (15)Molar Volume: 211.158 cm3; (16)Polarizability: 28.796×10-24cm3; (17)Surface Tension: 56.701 dyne/cm; (18)Enthalpy of Vaporization: 74.753 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)OC(=O)C\2=C(/O)c1ccccc1S(=O)(=O)N/2C
(2)InChI: InChI=1/C13H15NO5S/c1-8(2)19-13(16)11-12(15)9-6-4-5-7-10(9)20(17,18)14(11)3/h4-8,15H,1-3H3

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