2-Propanone,1-(2-benzothiazolyl)- supplier

Name
2-Propanone,1-(2-benzothiazolyl)-(9CI)
EINECS
CAS No. 36874-53-0
Article Data12
CAS DataBase
Density 1.252 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NOS
Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 191.254
Flash Point 142.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 58.20000
LogP 2.42780

2-Propanone,1-(2-benzothiazolyl)- Specification

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^-24cm³; (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

Product Name

2-Propanone,1-(2-benzothiazolyl)-(9CI)

2-Propanone,1-(2-benzothiazolyl)- Specification

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