Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene,[(1-methylethyl)sulfinyl]- |
EINECS | N/A |
CAS No. | 4170-69-8 | Density | 1.11 g/cm3 |
PSA | 36.28000 | LogP | 3.06830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12OS | Boiling Point | 289.9 °C at 760 mmHg |
Molecular Weight | 168.26 | Flash Point | 129.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Sulfoxide,isopropyl phenyl (6CI,7CI,8CI);Isopropyl benzenesulfenate;Isopropyl phenylsulfoxide;NSC 316452;Phenyl isopropyl sulfoxide;Propan-2-ylsulfinylbenzene; |
Article Data | 125 |
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