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25558-06-9

Basic Information
CAS No.: 25558-06-9
Name: 1-Ethylsulfinylpropyne
Molecular Structure:
Molecular Structure of 25558-06-9 (1-Ethylsulfinylpropyne)
Formula: C5H8OS
Molecular Weight: 116.184
Synonyms: 1-(Ethylsulfinyl)-1-propyne;
Density: 1.118 g/cm3
Boiling Point: 204.03 °C at 760 mmHg
Flash Point: 77.195 °C
PSA: 36.28000
LogP: 1.60150
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Specification

The 1-Ethylsulfinylpropyne, with the CAS registry number 25558-06-9, is also known as 1-(Ethylsulfinyl)-1-propyne. This chemical's molecular formula is C5H8OS and molecular weight is 116.03. What's more, its IUPAC name is called 1-Ethylsulfinylprop-1-yne.

Physical properties about 1-Ethylsulfinylpropyne are: (1)ACD/LogP: 0.733; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.12; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 59.69; (8)ACD/KOC (pH 7.4): 59.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.28 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 32.081 cm3; (15)Molar Volume: 103.878 cm3; (16)Polarizability: 12.718×10-24cm3; (17)Surface Tension: 52.91 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 77.195 °C; (20)Enthalpy of Vaporization: 42.228 kJ/mol; (21)Boiling Point: 204.03 °C at 760 mmHg; (22)Vapour Pressure: 0.38 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCS(=O)C#CC
(2) InChI: InChI=1S/C5H8OS/c1-3-5-7(6)4-2/h4H2,1-2H3
(3) InChIKey: ITRUNNSZRPRASK-UHFFFAOYSA-N