Bethoxazin supplier | CasNO.163269-30-5

Name
Bethoxazin
EINECS 431-030-6
CAS No. 163269-30-5
Density 1.581 g/cm³
Solubility
Melting Point
Formula C₁₁H₉NO₂S₂
Boiling Point 452.334 °C at 760 mmHg
Molecular Weight 251.33
Flash Point 227.364 °C
Transport Information
Appearance
Safety 26-36/39-45-57-60-61
Risk Codes 23-41-48/22-50/53
Molecular Structure
Hazard Symbols T,N
Synonyms 3-(Benzo[b]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine4-oxide;Bethogard;Bethoguard;Bethoxazin;Microban Additive GBF;
PSA 86.11000
LogP 2.64310

Bethoxazin Specification

This chemical is called Bethoxazin, and its ystematic name is 3-(1-benzothiophen-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-oxide. With the molecular formula of C₁₁H₉NO₂S₂, its molecular weight is 251.32. In addition, the CAS registry number of this chemical is 163269-30-5.

Other characteristics of the Bethoxazin can be summarised as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 254; (8)ACD/KOC (pH 7.4): 254; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 86.11 Å²; (13)Index of Refraction: 1.779; (14)Molar Refractivity: 66.624 cm³; (15)Molar Volume: 158.991 cm³; (16)Polarizability: 26.412×10^-24cm³; (17)Surface Tension: 75.554 dyne/cm; (18)Density: 1.581 g/cm³; (19)Flash Point: 227.364 °C; (20)Enthalpy of Vaporization: 68.42 kJ/mol; (21)Boiling Point: 452.334 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S3CCO\N=C3\c1sc2ccccc2c1
(2)InChI: InChI=1/C11H9NO2S2/c13-16-6-5-14-12-11(16)10-7-8-3-1-2-4-9(8)15-10/h1-4,7H,5-6H2
(3)InChIKey: NRAYWXLNSHEHQO-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H9NO2S2/c13-16-6-5-14-12-11(16)10-7-8-3-1-2-4-9(8)15-10/h1-4,7H,5-6H2
(5)Std. InChIKey: NRAYWXLNSHEHQO-UHFFFAOYSA-N

Product Name

Bethoxazin

Bethoxazin Specification

Related Products

Hot Products