2(3H)-Benzothiazolone,6-acetyl-(9CI) supplier

Name
2(3H)-Benzothiazolone,6-acetyl-(9CI)
EINECS 681-107-5
CAS No. 133044-44-7
Article Data9
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 190-194°C
Formula C₉H₇NO₂S
Boiling Point
Molecular Weight 193.226
Flash Point
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2(3H)-Benzothiazolone,6-acetyl-(9CI);6-acetyl-1,3-benzothiazole-2(3)-one;6-acetylbenzo[d]thiazol-2(3H)-one
PSA 78.17000
LogP 1.79220

2(3H)-Benzothiazolone,6-acetyl-(9CI) Specification

This chemical is called 2(3H)-Benzothiazolone,6-acetyl-(9CI), and its systematic name is 6-acetyl-1,3-benzothiazol-2(3H)-one. With the molecular formula of C₉H₇NO₂S, its product category is Benzothiazole. The CAS registry number of this chemical is 133044-44-7. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 2(3H)-Benzothiazolone,6-acetyl-(9CI) can be summarised as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.86; (6)ACD/BCF (pH 7.4): 4.84; (7)ACD/KOC (pH 5.5): 107.99; (8)ACD/KOC (pH 7.4): 107.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.68 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 50.87 cm³; (15)Molar Volume: 142 cm³; (16)Polarizability: 20.16×10^-24cm³; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.36 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c2ccc1c(SC(=O)N1)c2)C
2.InChI: InChI=1/C9H7NO2S/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12)
3.InChIKey: UFRAIEFXNRTICG-UHFFFAOYAC

Product Name

2(3H)-Benzothiazolone,6-acetyl-(9CI)

2(3H)-Benzothiazolone,6-acetyl-(9CI) Specification

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