Methyl 4-hydroxy-2-methyl-(2H)-1,2-benzothiazine-3-carboxylate-1,1-dioxide supplier

Name
2-METHYL-4-HYDROXY-2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC METHYL ESTER-1,1-DIOXIDE
EINECS 252-601-4
CAS No. 35511-15-0
Article Data20
CAS DataBase
Density 1.515 g/cm³
Solubility
Melting Point 163-165 °C
Formula C₁₁H₁₁NO₅S
Boiling Point 439.9 °C at 760 mmHg
Molecular Weight 269.278
Flash Point 219.8 °C
Transport Information
Appearance Off-white to pale yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylicacid methyl ester 1,1-dioxide;4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid methyl ester1,1-dioxide;
PSA 92.29000
LogP 1.73900

Methyl 4-hydroxy-2-methyl-(2H)-1,2-benzothiazine-3-carboxylate-1,1-dioxide Specification

The Methyl 4-hydroxy-2-methyl-(2H)-1,2-benzothiazine-3-carboxylate-1,1-dioxide with the CAS number 35511-15-0 is also called 2H-1,2-Benzothiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide. Its molecular formula is C₁₁H₁₁NO₅S. The EINECS registry number is 252-601-4. This chemical belongs to the following product categories: (1)(intermediate of piroxicam); (2)Intermediates & Fine Chemicals; (3)Pharmaceuticals; (4)Sulfur & Selenium Compounds.

The properties of the chemical are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 36; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 92.29 Å²; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 63.4 cm³; (14)Molar Volume: 177.768 cm³; (15)Polarizability: 25.134×10^-24cm³; (16)Surface Tension: 63.255 dyne/cm; (17)Enthalpy of Vaporization: 73.453 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C\2=C(/O)c1ccccc1S(=O)(=O)N/2C
(2)InChI: InChI=1/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3
(3)InChIKey: NGHIOTWSWSQQNT-UHFFFAOYAM

Product Name

2-METHYL-4-HYDROXY-2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC METHYL ESTER-1,1-DIOXIDE

Methyl 4-hydroxy-2-methyl-(2H)-1,2-benzothiazine-3-carboxylate-1,1-dioxide Specification

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