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Name |
1-Ethylsulfinylpropyne |
EINECS | N/A |
CAS No. | 25558-06-9 | Density | 1.118 g/cm3 |
PSA | 36.28000 | LogP | 1.60150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H8OS | Boiling Point | 204.03 °C at 760 mmHg |
Molecular Weight | 116.184 | Flash Point | 77.195 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(Ethylsulfinyl)-1-propyne; |
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