6-Benzothiazolecarboxylicacid, 2-methyl-, ethyl ester supplier

Name
ETHYL 2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLATE
EINECS
CAS No. 103646-25-9
Density 1.25 g/cm³
Solubility
Melting Point 67-69 °C
Formula C₁₁H₁₁NO₂S
Boiling Point 332.5 °C at 760 mmHg
Molecular Weight 221.27554
Flash Point 154.9 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methyl-6-ethoxycarbonylbenzothiazole;Ethyl 2-methylbenzothiazole-6-carboxylate;
PSA 67.43000
LogP 2.78140

6-Benzothiazolecarboxylicacid, 2-methyl-, ethyl ester Specification

This chemical is called 6-Benzothiazolecarboxylicacid, 2-methyl-, ethyl ester, and its systematic name is ethyl 2-methyl-1,3-benzothiazole-6-carboxylate. With the molecular formula of C₁₁H₁₁NO₂S, its molecular weight is 221.27554. The CAS registry number of this chemical is 103646-25-9. Additionally, its product category is Benzothiazole.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 96.67; (6)ACD/BCF (pH 7.4): 96.7; (7)ACD/KOC (pH 5.5): 917.56; (8)ACD/KOC (pH 7.4): 917.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 61.8 cm³; (15)Molar Volume: 176.9 cm³; (16)Polarizability: 24.5×10^-24cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 154.9 °C; (20)Enthalpy of Vaporization: 57.52 kJ/mol; (21)Boiling Point: 332.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000146 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1ccc2nc(sc2c1)C
2.InChI: InChI=1/C11H11NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H3
3.InChIKey: XLUVVPRHNXGQJG-UHFFFAOYAB

Product Name

ETHYL 2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLATE

6-Benzothiazolecarboxylicacid, 2-methyl-, ethyl ester Specification

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