Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Benzothiazoleacetic acid |
EINECS | N/A |
CAS No. | 29182-45-4 | Density | 1.445 g/cm3 |
PSA | 78.43000 | LogP | 1.92340 |
Solubility | N/A | Melting Point |
112-113 °C |
Formula | C9H7NO2S | Boiling Point | 380.867 °C at 760 mmHg |
Molecular Weight | 193.226 | Flash Point | 184.142 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Benzothiazol-2-yl)aceticacid;1,3-Benzothiazol-2-ylacetic acid; |
Article Data | 8 |
The 2-Benzothiazoleacetic acid with cas registry number of 29182-45-4, belongs to the following product categories: (1)BENZOTHIAZOLE; (2)Thiazole; (3)Carboxylic Acids; (4)Thiazoles, Isothiazoles & Benzothiazoles. It has the systematic name of 2-(1,3-benzothiazol-2-yl)acetic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.43 Å2; (11)Index of Refraction: 1.7; (12)Molar Refractivity: 51.685 cm3; (13)Molar Volume: 133.695 cm3; (14)Polarizability: 20.489×10-24cm3; (15)Surface Tension: 70.065 dyne/cm; (16)Enthalpy of Vaporization: 66.357 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)nc(s2)CC(=O)O;
(2)InChI: InChI=1/C9H7NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12);
(3)InChIKey: ZOAYQTSFMDZTQA-UHFFFAOYAB;
(4)Std. InChI: InChI=1S/C9H7NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12);
(5)Std. InChIKey: ZOAYQTSFMDZTQA-UHFFFAOYSA-N