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CAS No.: | 53394-81-3 |
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Name: | 1-chloro-4-methylsulfinyl-butane |
Molecular Structure: | |
Formula: | C5H11ClOS |
Molecular Weight: | 154.661 |
Synonyms: | 4-Chlorobutylmethyl sulfoxide;4-Chlorobutyl methyl sulfoxide; |
Density: | 1.172 g/cm3 |
Boiling Point: | 298.6 °C at 760 mmHg |
Flash Point: | 134.4 °C |
PSA: | 36.28000 |
LogP: | 2.24960 |
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The Butane,1-chloro-4-(methylsulfinyl)-, with the CAS registry number 53394-81-3, is also known as 4-Chlorobutyl methyl sulfoxide. This chemical's molecular formula is C5H11ClOS and molecular weight is 154.6582. What's more, its systematic name is 1-Chloro-4-methylsulfinyl-butane.
Physical properties about Butane,1-chloro-4-(methylsulfinyl)- are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.08; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 36.28 Å2; (9)Index of Refraction: 1.501; (10)Molar Refractivity: 38.92 cm3; (11)Molar Volume: 131.9 cm3; (12)Polarizability: 15.43×10-24 cm3; (13)Surface Tension: 44.3 dyne/cm; (14)Density: 1.172 g/cm3; (15)Flash Point: 134.4 °C; (16)Enthalpy of Vaporization: 51.7 kJ/mol; (17)Boiling Point: 298.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00223 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CS(=O)CCCCCl
(2) InChI: InChI=1/C5H11ClOS/c1-8(7)5-3-2-4-6/h2-5H2,1H3
(3) InChIKey: HJVWKFAXJLSSAW-UHFFFAOYAS