Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl benzothiazole-2-carboxylate |
EINECS | N/A |
CAS No. | 32137-76-1 | Density | 1.29 g/cm3 |
PSA | 67.43000 | LogP | 2.47300 |
Solubility | N/A | Melting Point |
66-68 °C |
Formula | C10H9NO2S | Boiling Point | 312.8 °C at 760 mmHg |
Molecular Weight | 207.253 | Flash Point | 142.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(2-Ethoxycarbonyl)benzothiazole;Ethyl 2-benzothiazolecarboxylate;Ethyl benzo[d]thiazole-2-carboxylate; |
Article Data | 2 |
The CAS register number of 2-Benzothiazolecarboxylicacid, ethyl ester is 32137-76-1. It also can be called as (2-Ethoxycarbonyl)benzothiazole and the IUPAC name about this chemical is ethyl 1,3-benzothiazole-2-carboxylate. The molecular formula about this chemical is C10H9NO2S and the molecular weight is 207.25. It belongs to the following product categories which include Benzothiazole; Heterocyclic Compounds and so on.
Physical properties about 2-Benzothiazolecarboxylicacid, ethyl ester are: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 113.16; (5)ACD/BCF (pH 7.4): 113.16; (6)ACD/KOC (pH 5.5): 1027.2; (7)ACD/KOC (pH 7.4): 1027.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 56.97 cm3; (13)Molar Volume: 160.6 cm3; (14)Polarizability: 22.58x10-24cm3; (15)Surface Tension: 52.7 dyne/cm; (16)Enthalpy of Vaporization: 55.38 kJ/mol; (17)Boiling Point: 312.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000519 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nc2ccccc2s1
(2)InChI: InChI=1/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
(3)InChIKey: VLQLCEXNNGQELL-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
(5)Std. InChIKey: VLQLCEXNNGQELL-UHFFFAOYSA-N