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5,5-Bis(propan-2-ylsulfanyl)pentane-1,2,3-triol

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Name

5,5-Bis(propan-2-ylsulfanyl)pentane-1,2,3-triol

EINECS N/A
CAS No. 6301-46-8 Density 1.154 g/cm3
PSA 111.29000 LogP 1.69990
Solubility N/A Melting Point N/A
Formula C11H24O3S2 Boiling Point 444.3 °C at 760 mmHg
Molecular Weight 268.442 Flash Point 215.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6301-46-8 (5,5-Bis(propan-2-ylsulfanyl)pentane-1,2,3-triol) Hazard Symbols N/A
Synonyms

5,5-bis(propan-2-ylsulfanyl)pentane-1,2,3-triol

 

5,5-Bis(propan-2-ylsulfanyl)pentane-1,2,3-triol Specification

The CAS register number of 5,5-Bis(propan-2-ylsulfanyl)pentane-1,2,3-triol is 6301-46-8. The molecular formula about this chemical is C11H24O3S2 and the molecular weight is 268.4365.

Physical properties about 5,5-Bis(propan-2-ylsulfanyl)pentane-1,2,3-triol are: (1)ACD/LogP: 1.68; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 11; (5)Polar Surface Area: 78.29 Å2; (6)Index of Refraction: 1.544; (7)Molar Refractivity: 73.4 cm3; (8)Molar Volume: 232.4 cm3; (9)Polarizability: 29.09x10-24cm3; (10)Surface Tension: 46.8 dyne/cm; (11)Density: 1.154 g/cm3; (12)Flash Point: 215.6 °C; (13)Enthalpy of Vaporization: 81.02 kJ/mol; (14)Boiling Point: 444.3 °C at 760 mmHg; (15)Vapour Pressure: 9.25E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(C(C)C)C(SC(C)C)CC(O)C(O)CO
(2)InChI: InChI=1/C11H24O3S2/c1-7(2)15-11(16-8(3)4)5-9(13)10(14)6-12/h7-14H,5-6H2,1-4H3
(3)InChIKey: IRUFIBUNWDMBNL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H24O3S2/c1-7(2)15-11(16-8(3)4)5-9(13)10(14)6-12/h7-14H,5-6H2,1-4H3
(5)Std. InChIKey: IRUFIBUNWDMBNL-UHFFFAOYSA-N

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