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3,3'-Dithiobis(N-octylpropionamide)

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Name

3,3'-Dithiobis(N-octylpropionamide)

EINECS 251-453-8
CAS No. 33312-01-5 Density 1.003 g/cm3
Solubility Melting Point
Formula C22H44N2O2S2 Boiling Point 619.6 °C at 760 mmHg
Molecular Weight 432.73 Flash Point 328.5 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 33312-01-5 (Propanamide,3,3'-dithiobis[N-octyl-) Hazard Symbols
Synonyms

3,3'-Disulfanediylbis(N-octylpropanamide);3,3'-dithiobis[N-octylpropionamide];N-Octyl-3-[3-(octylamino)-3-oxopropyl]disulfanylpropanamide;N,N'-Bis-n-octyl-3,3'-dithiopropionamide;

 

3,3'-Dithiobis(N-octylpropionamide) Specification

The 3,3'-Dithiobis(N-octylpropionamide) with cas registry number of 33312-01-5, is also called 3,3'-dithiobis[N-octylpropionamide] ; N-Octyl-3-[3-(octylamino)-3-oxopropyl]disulfanylpropanamide .

Physical properties of 3,3'-Dithiobis(N-octylpropionamide) : (1)ACD/LogP: 7.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.29; (4)ACD/LogD (pH 7.4): 7.29; (5)ACD/BCF (pH 5.5): 205060.73; (6)ACD/BCF (pH 7.4): 205060.95; (7)ACD/KOC (pH 5.5): 220709.52; (8)ACD/KOC (pH 7.4): 220709.75; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 91.22 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 127.21 cm3; (15)Molar Volume: 431.4 cm3; (16)Polarizability: 50.43×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 91.84 kJ/mol; (19)Vapour Pressure: 2.8E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:(1)SMILES:O=C(NCCCCCCCC)CCSSCCC(=O)NCCCCCCCC; (2)InChI:InChI=1/C22H44N2O2S2/c1-3-5-7-9-11-13-17-23-21(25)15-19-27-28-20-16-22(26)24-18-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26); (3)InChIKey:NQSLUQLRQBLHJD-UHFFFAOYAE; (4)Std. InChI:InChI=1S/C22H44N2O2S2/c1-3-5-7-9-11-13-17-23-21(25)15-19-27-28-20-16-22(26)24-18-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26); (5)Std. InChIKey:NQSLUQLRQBLHJD-UHFFFAOYSA-N .

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