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CAS No.: | 36874-53-0 |
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Name: | 2-Propanone,1-(2-benzothiazolyl)-(9CI) |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H9NOS |
Molecular Weight: | 191.254 |
Synonyms: | 2-Propanone,(2-benzothiazolyl)- (6CI,7CI);1-(1,3-Benzothiazol-2-yl)acetone;1-(2-Benzothiazolyl)-2-propanone;1-Benzothiazole-2-yl-propan-2-one;2-Acetonylbenzothiazole;NSC 267240;2-Propanone,1-(2-benzothiazolyl)-(9CI);1-(1,3-Benzothiazol-2-yl)propan-2-one; |
Density: | 1.252 g/cm3 |
Boiling Point: | 311.9 °C at 760 mmHg |
Flash Point: | 142.4 °C |
PSA: | 58.20000 |
LogP: | 2.42780 |
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The 2-Propanone,1-(2-benzothiazolyl)-, with the CAS registry number 36874-53-0, is also known as 2-Propanone,1-(2-benzothiazolyl)-(9CI). It belongs to the product category of Benzothiazole. This chemical's molecular formula is C10H9NOS and molecular weight is 191.25. What's more, its systematic name is 1-(1,3-Benzothiazol-2-yl)propan-2-one.
Physical properties of 2-Propanone,1-(2-benzothiazolyl)- are: (1)ACD/LogP: 2.17; (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: 1.636; (8)Molar Refractivity: 54.78 cm3; (9)Molar Volume: 152.6 cm3; (10)Polarizability: 21.71×10-24 cm3; (11)Surface Tension: 51.9 dyne/cm; (12)Density: 1.252 g/cm3; (13)Flash Point: 142.4 °C; (14)Enthalpy of Vaporization: 55.29 kJ/mol; (15)Boiling Point: 311.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000546 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC1=NC2=CC=CC=C2S1
(2)InChI: InChI=1S/C10H9NOS/c1-7(12)6-10-11-8-4-2-3-5-9(8)13-10/h2-5H,6H2,1H3
(3)InChIKey: QFILRFCCYHXDNW-UHFFFAOYSA-N