Cas no 41947-84-6 (ethyl octadecyl sulfide)
ethyl octadecyl sulfide structure
Product Name:ethyl octadecyl sulfide
CAS No:41947-84-6
MF:C20H42S
MW:314.612485408783
CID:927573
PubChem ID:12141201
Update Time:2025-04-19
ethyl octadecyl sulfide Chemical and Physical Properties
Names and Identifiers
-
- ethyl octadecyl sulfide
- 1-ethylsulfanyloctadecane
- SCHEMBL201592
- 41947-84-6
- DTXSID00478402
- Ethyl(octadecyl)sulfane
- DB-050825
-
- Inchi： 1S/C20H42S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h3-20H2,1-2H3
- InChI Key： SCXDNHDZZGVVOL-UHFFFAOYSA-N
- SMILES： S(CC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 314.30100
- Monoisotopic Mass: 314.30072251g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 18
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.1
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- Density: 0.8823 (estimate)
- Melting Point: 25°C (estimate)
- Boiling Point: 364.26°C (rough estimate)
- Refractive Index: 1.4746 (estimate)
- PSA: 25.30000
- LogP: 8.00100
ethyl octadecyl sulfide Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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