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Bethoxazin

Bethoxazin structure

CAS No:
163269-30-5
Formula:
C11H9NO2S2
Chemical Name:
Bethoxazin
Synonyms:
1,4,2-Oxathiazine,3-benzo[b]thien-2-yl-5,6-dihydro-,4-oxide;3-(Benzo[b]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-oxide;Bethoxazin;Bethogard;Microban Additive GBF;Bethoguard
Categories:
Analytical Chemistry > Standard

Description

Bethoxazin(Bethoguard) is a new broad spectrum industrial microbicide with applications in material and coating preservation.IC50 value:Target: MicrobicideBethoxazin potently inhibited the catalytic activity of yeast DNA topoisomerase II and the growth of yeast BY4742 cells at low micromolar concentrations. bethoxazin may exert its microbicidal action by reacting with sensitive endogenous sulfhydryl biomolecules of microbial cells.

Bethoxazin Basic Attributes

Molecular Weight：

251.32466

Exact Mass：

251.32

EC Number：

431-030-6

DSSTox ID：

DTXSID5048051

HScode：

2934999090

Characteristics

PSA：

86.1

XLogP3：

2.64310

Density：

1.58±0.1 g/cm3(Predicted)

Boiling Point：

452.3±37.0 °C(Predicted)

Refractive Index：

1.779

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

UN 3077 9 / PGIII

hazard class code：

23-41-48/22-50/53

safety instructions：

26-36/39-45-57-60-61

Marks：

T,N

Precautionary statement(s)：

P261-P273-P280-P305 + P351 + P338-P311-P501

Hazard Statements：

H318-H331-H373-H410

GHS Classification：

|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P260, P261, P271, P273, P280, P304+P340, P305+P351+P338, P310, P311, P314, P321, P391, P403+P233, P405, and P501|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 31 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 54 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

bethoxazin

Computed Properties

Molecular Weight:251.3
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:251.00747088
Monoisotopic Mass:251.00747088
Topological Polar Surface Area:86.1
Heavy Atom Count:16
Complexity:332
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes