10-Oxa-4,6-dithia-5-stannadocosanoic acid, 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-, dodecyl ester supplier

Name
dodecyl 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
EINECS 281-263-0
CAS No. 83898-52-6
Density
Solubility
Melting Point
Formula C₄₉H₉₆O₆S₃Sn
Boiling Point 843.9 °C at 760 mmHg
Molecular Weight 996.19
Flash Point 464.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dodecyl 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate;Dodecyl 3-[butyl-bis[(3-dodecoxy-3-oxo-propyl)sulfanyl]stannyl]sulfanylpropanoate;
PSA 78.90000
LogP 14.13460

10-Oxa-4,6-dithia-5-stannadocosanoic acid, 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-, dodecyl ester Specification

The 10-Oxa-4,6-dithia-5-stannadocosanoic acid, 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-, dodecyl ester, with the CAS registry number 83898-52-6, is also known as Dodecyl 3-[butyl-bis[(3-dodecoxy-3-oxo-propyl)sulfanyl]stannyl]sulfanylpropanoate. Its EINECS number is 281-263-0. This chemical's molecular formula is C₄₉H₉₆O₆S₃Sn and molecular weight is 996.19. What's more, its IUPAC name is dodecyl 3-[butyl-bis[(3-dodecoxy-3-oxopropyl)sulfanyl]stannyl]sulfanylpropanoate.

Physical properties of 10-Oxa-4,6-dithia-5-stannadocosanoic acid, 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-, dodecyl ester are: (1)ACD/LogP: 26.52; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 26.52; (4)ACD/LogD (pH 7.4): 26.52; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 51; (8)Polar Surface Area: 154.8 Å²; (9)Flash Point: 464.2 °C; (10)Enthalpy of Vaporization: 122.63 kJ/mol; (11)Boiling Point: 843.9 °C at 760 mmHg; (12)Vapour Pressure: 1E-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC
(2)InChI: InChI=1S/3C15H30O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;1-3-4-2;/h3*18H,2-14H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
(3)InChIKey: HJTDGDJPAASXLC-UHFFFAOYSA-K

Product Name

dodecyl 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate

10-Oxa-4,6-dithia-5-stannadocosanoic acid, 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-, dodecyl ester Specification

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