2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-, methyl ester supplier

Name
METHYL (2H-1 4-BENZOTHIAZIN-3(4H)-ONE-2&
EINECS
CAS No. 7556-63-0
Article Data9
CAS DataBase
Density 1.276 g/cm³
Solubility
Melting Point 143-147 °C(lit.)
Formula C₁₁H₁₁NO₃S
Boiling Point 410 °C at 760 mmHg
Molecular Weight 237.279
Flash Point 201.8 °C
Transport Information
Appearance solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate;Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate;Methyl [2H-1,4-benzothiazin-3(4H)-one-2-yl] acetate;Methyl 3,4-dihydro-3-oxo-2H-1,4-benzothiazine-2-acetate;
PSA 80.70000
LogP 1.80050

2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-, methyl ester Specification

The 2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-, methyl ester, with the CAS registry number 7556-63-0, is also known as Methyl 3,4-dihydro-3-oxo-2H-1,4-benzothiazine-2-acetate. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Thiazines. This chemical's molecular formula is C₁₁H₁₁NO₃S and molecular weight is 237.27. What's more, its systematic name is methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate. It should be sealed and stored in a cool, ventilated and dry place.

Physical properties of 2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-, methyl ester are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 4.73; (6)ACD/BCF (pH 7.4): 4.73; (7)ACD/KOC (pH 5.5): 105.87; (8)ACD/KOC (pH 7.4): 105.87; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 71.91 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 61.19 cm³; (15)Molar Volume: 185.8 cm³; (16)Polarizability: 24.25×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.276 g/cm³; (19)Flash Point: 201.8 °C; (20)Enthalpy of Vaporization: 66.22 kJ/mol; (21)Boiling Point: 410 °C at 760 mmHg; (22)Vapour Pressure: 6.23E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CC1C(=O)NC2=CC=CC=C2S1
(2)InChI: InChI=1S/C11H11NO3S/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-5,9H,6H2,1H3,(H,12,14)
(3)InChIKey: ZAQAENJTGPJUEZ-UHFFFAOYSA-N

Product Name

METHYL (2H-1 4-BENZOTHIAZIN-3(4H)-ONE-2&

2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-, methyl ester Specification

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