CAS No.118854-48-1,4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid isopropyl ester 1,1-dioxide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118854-48-1
Name:	4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid isopropyl ester 1,1-dioxide
Article Data:	4

Formula:	C₁₃H₁₅NO₅S
Molecular Weight:	297.332
Synonyms:	NSC 640233;
Density:	1.408 g/cm³
Melting Point:	200 °C
Boiling Point:	450.485 °C at 760 mmHg
Flash Point:	226.246 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	92.29000
LogP:	2.51760

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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
(3)InChIKey: ZHWSBDIYCSOTBY-UHFFFAOYAV