ethane;ethoxy(triphenyl)-λ4-sulfane

C22H26OS — CID 178007360

IUPACethane;ethoxy(triphenyl)-λ4-sulfane
SMILESCC.CCOS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20OS.C2H6/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2/h3-17H,2H2,1H3;1-2H3
InChIKeyVCGDUBGDYYFLHC-UHFFFAOYSA-N
MW338.52 g/mol
LogP6.95
Rot. Bonds5

About ethane;ethoxy(triphenyl)-λ4-sulfane

ethane;ethoxy(triphenyl)-λ4-sulfane (PubChem CID 178007360) has the molecular formula C22H26OS and a molecular weight of 338.52 g/mol. Its IUPAC name is ethane;ethoxy(triphenyl)-λ4-sulfane.

Molecular Properties

Compound Nameethane;ethoxy(triphenyl)-λ4-sulfane
PubChem CID178007360
Molecular FormulaC22H26OS
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Nameethane;ethoxy(triphenyl)-λ4-sulfane
SMILESCC.CCOS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20OS.C2H6/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2/h3-17H,2H2,1H3;1-2H3
InChIKeyVCGDUBGDYYFLHC-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Triphenylsulfonium chloride
CID 61343
Triphenylsulfonium
CID 61344
Triphenylsulfonium Bromide
CID 11984010
Chloro(triphenyl)-lambda4-sulfane
CID 15038682
Triphenylsulfonium iodide
CID 21881071
(1-Phenylsulfanylcyclohexyl)sulfanylbenzene
CID 4257233
[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
CID 132507900
1,1',1''-(Ethane-1,1,1-triyltrisulfanediyl)tribenzene
CID 265205
Triphenylsulfoniumbromid
CID 12749591
Tri-phenylsulfonium iodide
CID 12932029
Tetraphenylsulfurane
CID 21274877
S-(2-diphenylphosphanylphenyl) ethanethioate
CID 59202684

Frequently Asked Questions

What is the IUPAC name of ethane;ethoxy(triphenyl)-λ4-sulfane?
The IUPAC name of ethane;ethoxy(triphenyl)-λ4-sulfane (CID 178007360) is ethane;ethoxy(triphenyl)-λ4-sulfane.
What is the SMILES notation for ethane;ethoxy(triphenyl)-λ4-sulfane?
The canonical SMILES for ethane;ethoxy(triphenyl)-λ4-sulfane is CC.CCOS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;ethoxy(triphenyl)-λ4-sulfane?
The InChIKey is VCGDUBGDYYFLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OS.C2H6/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2/h3-17H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethoxy(triphenyl)-λ4-sulfane?
ethane;ethoxy(triphenyl)-λ4-sulfane has a molecular weight of 338.52 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethoxy(triphenyl)-λ4-sulfane is sourced from PubChem (CID 178007360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).