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CAS No.: | 6269-44-9 |
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Name: | 2-Butanone,3-(2-benzothiazolyl)-(9CI) |
Molecular Structure: | |
Formula: | C11H11NOS |
Molecular Weight: | 205.28 |
Synonyms: | NSC 33751;3-(1,3-Benzothiazol-2-yl)butan-2-one;2-Butanone,3-(2-benzothiazolyl)-(9CI); |
Density: | 1.207 g/cm3 |
Boiling Point: | 312 °C at 760 mmHg |
Flash Point: | 142.5 °C |
PSA: | 58.20000 |
LogP: | 2.98880 |
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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