2-Butanone,3-(2-benzothiazolyl)- supplier

Name
2-Butanone,3-(2-benzothiazolyl)-(9CI)
EINECS
CAS No. 6269-44-9
Density 1.207 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁NOS
Boiling Point 312 °C at 760 mmHg
Molecular Weight 205.28
Flash Point 142.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 33751;3-(1,3-Benzothiazol-2-yl)butan-2-one;2-Butanone,3-(2-benzothiazolyl)-(9CI);
PSA 58.20000
LogP 2.98880

2-Butanone,3-(2-benzothiazolyl)- Specification

The 2-Butanone,3-(2-benzothiazolyl)-, with the CAS registry number 6269-44-9, is also known as 2-Butanone,3-(2-benzothiazolyl)-(9CI). It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₁₁H₁₁NOS and molecular weight is 205.28. What's more, its systematic name is 3-(1,3-benzothiazol-2-yl)butan-2-one.

Physical properties of 2-Butanone,3-(2-benzothiazolyl)- are: (1)ACD/LogP: 2.52; (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: 58.2 Å²; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 59.41 cm³; (9)Molar Volume: 169.9 cm³; (10)Polarizability: 23.55×10^-24cm³; (11)Surface Tension: 48.4 dyne/cm; (12)Density: 1.207 g/cm³; (13)Flash Point: 142.5 °C; (14)Enthalpy of Vaporization: 55.29 kJ/mol; (15)Boiling Point: 312 °C at 760 mmHg; (16)Vapour Pressure: 0.000545 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(c1nc2ccccc2s1)C
(2)InChI: InChI=1S/C11H11NOS/c1-7(8(2)13)11-12-9-5-3-4-6-10(9)14-11/h3-7H,1-2H3
(3)InChIKey: ZZDKCNNIPGACNK-UHFFFAOYSA-N

Product Name

2-Butanone,3-(2-benzothiazolyl)-(9CI)

2-Butanone,3-(2-benzothiazolyl)- Specification

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