2(3H)-Benzothiazolone,3-(2-chloroethyl)- supplier

Name
3-(2-chloroethyl)-1,3-benzothiazol-2(3H)-one
EINECS
CAS No. 22258-71-5
Article Data6
CAS DataBase
Density 1.382 g/cm³
Solubility
Melting Point
Formula C₉H₈ClNOS
Boiling Point 355 °C at 760 mmHg
Molecular Weight 213.688
Flash Point 168.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzothiazolinone,3-(2-chloroethyl)- (8CI);3-(Chloroethyl)benzothiazolin-2-one;NSC 117368;
PSA
LogP

2(3H)-Benzothiazolone,3-(2-chloroethyl)- Specification

This chemical is called 2(3H)-Benzothiazolone,3-(2-chloroethyl)-, and its systematic name is 3-(2-chloroethyl)-1,3-benzothiazol-2(3H)-one. With the molecular formula of C₉H₈ClNOS, its molecular weight is 213.6839. The CAS registry number of this chemical is 22258-71-5.

Other characteristics of the 2(3H)-Benzothiazolone,3-(2-chloroethyl)- can be summarised as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.61 Å²; (7)Index of Refraction: 1.633; (8)Molar Refractivity: 55.23 cm³; (9)Molar Volume: 154.5 cm³; (10)Polarizability: 21.89×10^-24cm³; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.382 g/cm³; (13)Flash Point: 168.5 °C; (14)Enthalpy of Vaporization: 60.01 kJ/mol; (15)Boiling Point: 355 °C at 760 mmHg; (16)Vapour Pressure: 3.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClCCN1c2ccccc2SC1=O
2.InChI: InChI=1/C9H8ClNOS/c10-5-6-11-7-3-1-2-4-8(7)13-9(11)12/h1-4H,5-6H2
3.InChIKey: VZRAYMNDMPDPBO-UHFFFAOYAA

Product Name

3-(2-chloroethyl)-1,3-benzothiazol-2(3H)-one

2(3H)-Benzothiazolone,3-(2-chloroethyl)- Specification

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