Basic information
- Name:
2-[5-(2-Hydroxyethylsulfanyl)pentylsulfanyl]ethanol
- CAS No.:
5400-84-0
- Molecular Structure:
![Molecular Structure of 5400-84-0 (2-[5-(2-Hydroxyethylsulfanyl)pentylsulfanyl]ethanol)](http://www.lookchem.com/300w/23/223140.png)
- Formula:
- C9H20O2S2
- Molecular Weight:
- 224.38
- Synonyms:
- 1,5-Bis(2-hydroxyethyl thio)pentane;2,2'-(Pentane-1,5-diyldisulfanediyl)diethanol;
- Density:
- 1.121 g/cm3
- Boiling Point:
- 397.2 °C at 760 mmHg
- Flash Point:
- 192.9 °C
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Specification
The 2-[5-(2-Hydroxyethylsulfanyl)pentylsulfanyl]ethanol, with the CAS registry number 5400-84-0, is also known as 1,5-Bis(2-hydroxyethyl thio)pentane. This chemical's molecular formula is C9H20O2S2 and molecular weight is 224.38. What's more, its systematic name is 2,2'-(Pentane-1,5-diyldisulfanediyl)diethanol.
Physical properties of 2-[5-(2-Hydroxyethylsulfanyl)pentylsulfanyl]ethanol are:(1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 69.06 Å2; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 62.8 cm3; (9)Molar Volume: 200 cm3; (10)Polarizability: 24.89×10-24 cm3; (11)Surface Tension: 47.4 dyne/cm; (12)Density: 1.121 g/cm3; (13)Flash Point: 192.9 °C; (14)Enthalpy of Vaporization: 74.86 kJ/mol; (15)Boiling Point: 397.2 °C at 760 mmHg; (16)Vapour Pressure: 5.88E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCSCCCCCSCCO
(2)InChI: InChI=1S/C9H20O2S2/c10-4-8-12-6-2-1-3-7-13-9-5-11/h10-11H,1-9H2
(3)InChIKey: OUUXMGPVGBYKHB-UHFFFAOYSA-N
