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CAS No.: | 4170-69-8 |
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Name: | propan-2-ylsulfinylbenzene |
Article Data: | 125 |
Molecular Structure: | |
Formula: | C9H12OS |
Molecular Weight: | 168.26 |
Synonyms: | Sulfoxide,isopropyl phenyl (6CI,7CI,8CI);Isopropyl benzenesulfenate;Isopropyl phenylsulfoxide;NSC 316452;Phenyl isopropyl sulfoxide;Propan-2-ylsulfinylbenzene; |
Density: | 1.11 g/cm3 |
Boiling Point: | 289.9 °C at 760 mmHg |
Flash Point: | 129.1 °C |
PSA: | 36.28000 |
LogP: | 3.06830 |
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The Benzene,[(1-methylethyl)sulfinyl]-, with the CAS registry number 4170-69-8, is also known as Isopropyl phenylsulfoxide. This chemical's molecular formula is C9H12OS and molecular weight is 168.26. What's more, its systematic name is propan-2-ylsulfinylbenzene.
Physical properties of Benzene,[(1-methylethyl)sulfinyl]- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 36.28 Å2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 49.48 cm3; (9)Molar Volume: 150.5 cm3; (10)Polarizability: 19.61×10-24cm3; (11)Surface Tension: 47.2 dyne/cm; (12)Density: 1.11 g/cm3; (13)Flash Point: 129.1 °C; (14)Enthalpy of Vaporization: 50.8 kJ/mol; (15)Boiling Point: 289.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00373 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)S(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C9H12OS/c1-8(2)11(10)9-6-4-3-5-7-9/h3-8H,1-2H3
(3)InChIKey: MNPISBRDBQCTAF-UHFFFAOYSA-N