3-(2-Hydroxyethyl)benzothiazol-2-one supplier

Name
3-(2-HYDROXYETHYL)-1,3-BENZOTHIAZOL-2(3H)-ONE
EINECS
CAS No. 21344-50-3
Article Data5
CAS DataBase
Density 1.388 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₂S
Boiling Point 386.1 °C at 760 mmHg
Molecular Weight 195.24
Flash Point 187.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2(3H)-Benzothiazolone, 3-(2-hydroxyethyl)-;3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one;2-Hydroxy-ethyl-benzothiazolone;
PSA 70.47000
LogP 1.05530

3-(2-Hydroxyethyl)benzothiazol-2-one Specification

The 3-(2-Hydroxyethyl)benzothiazol-2-one with CAS registry number of 21344-50-3 is also known as 2(3H)-Benzothiazolone, 3-(2-hydroxyethyl)-. The IUPAC name is 3-(2-Hydroxyethyl)-1,3-benzothiazol-2-one. In addition, the formula is C₉H₉NO₂S and the molecular weight is 195.24.

Physical properties about 3-(2-Hydroxyethyl)benzothiazol-2-one are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 54.84Å²; (7)Index of Refraction: 1.66; (8)Molar Refractivity: 51.92 cm³; (9)Molar Volume: 140.6 cm³; (10)Polarizability: 20.58×10^-24cm³; (11)Surface Tension: 61.2 dyne/cm; (12)Density: 1.388 g/cm³; (13)Flash Point: 187.3 °C; (14)Enthalpy of Vaporization: 66.98 kJ/mol; (15)Boiling Point: 386.1 °C at 760 mmHg; (16)Vapour Pressure: 1.18E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C2Sc1ccccc1N2CCO
2. InChI: InChI=1/C9H9NO2S/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2
3. InChIKey: WBUHYKDOHNEIEL-UHFFFAOYAZ
4. Std. InChI: InChI=1S/C9H9NO2S/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2
5. Std. InChIKey: WBUHYKDOHNEIEL-UHFFFAOYSA-N

Product Name

3-(2-HYDROXYETHYL)-1,3-BENZOTHIAZOL-2(3H)-ONE

3-(2-Hydroxyethyl)benzothiazol-2-one Specification

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