4,6-Dimethyl-2(3H)-benzothiazolone supplier

Name
4,6-Dimethyl-2(3H)-benzothiazolone
EINECS
CAS No. 80567-67-5
Density 1.252 g/cm³
Solubility
Melting Point
Formula C₉H₉NOS
Boiling Point
Molecular Weight 179.243
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,6-dimethyl-3H-benzothiazol-2-one;4,6-Dimethyl-2(3H)-benzothiazolon [German];2(3H)-Benzothiazolone, 4,6-dimethyl-;
PSA 61.10000
LogP 2.20640

4,6-Dimethyl-2(3H)-benzothiazolone Specification

The IUPAC name of 4,6-Dimethyl-2(3H)-benzothiazolone is 4,6-dimethyl-3H-1,3-benzothiazol-2-one . With the CAS registry number 80567-67-5, it is also named as 4,6-Dimethyl-2(3H)-benzothiazolon ; 4,6-Dimethyl-2(3H)-benzothiazolon [German] ; 2(3H)-Benzothiazolone, 4,6-dimethyl- . It belongs to benzothiazole.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.68 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.68 ; (4)ACD/LogD (pH 7.4): 2.68 ; (5)ACD/BCF (pH 5.5): 64.11 ; (6)ACD/BCF (pH 7.4): 64.08 ; (7)ACD/KOC (pH 5.5): 683.91 ; (8)ACD/KOC (pH 7.4): 683.65 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 1 ; (11)Index of Refraction: 1.623 ; (12)Molar Refractivity: 50.49 cm³ ; (13)Molar Volume: 143 cm³ ; (14)Polarizability: 20.01×10^-24 cm³ ; (15)Surface Tension: 47 dyne/cm.

People can use the following data to convert to the molecule structure. SMILES: O=C2Sc1cc(cc(c1N2)C)C; InChI: InChI=1/C9H9NOS/c1-5-3-6(2)8-7(4-5)12-9(11)10-8/h3-4H,1-2H3,(H,10,11). 4,6-Dimethyl-2(3H)-benzothiazolone has many suppliers, such as Nanjing Kingsh Chemicals Ltd..

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	7gm/kg (7000mg/kg)		European Patent Application. Vol. #39818,
rat	LD50	oral	2920mg/kg (2920mg/kg)		German Offenlegungsschrift Patent Document. Vol. #3345702,

Product Name

4,6-Dimethyl-2(3H)-benzothiazolone

4,6-Dimethyl-2(3H)-benzothiazolone Specification

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