ethoxy(triphenyl)-λ4-sulfane

C20H20OS — CID 90120022

IUPACethoxy(triphenyl)-λ4-sulfane
SMILESCCOS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20OS/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/h3-17H,2H2,1H3
InChIKeyBGRVPVIVUWTDNJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.92
Rot. Bonds5

About ethoxy(triphenyl)-λ4-sulfane

ethoxy(triphenyl)-λ4-sulfane (PubChem CID 90120022) has the molecular formula C20H20OS and a molecular weight of 308.45 g/mol. Its IUPAC name is ethoxy(triphenyl)-λ4-sulfane.

Molecular Properties

Compound Nameethoxy(triphenyl)-λ4-sulfane
PubChem CID90120022
Molecular FormulaC20H20OS
Molecular Weight308.45 g/mol
Exact Mass308.12
IUPAC Nameethoxy(triphenyl)-λ4-sulfane
SMILESCCOS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20OS/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/h3-17H,2H2,1H3
InChIKeyBGRVPVIVUWTDNJ-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxy(triphenyl)-λ4-sulfane?
The IUPAC name of ethoxy(triphenyl)-λ4-sulfane (CID 90120022) is ethoxy(triphenyl)-λ4-sulfane.
What is the SMILES notation for ethoxy(triphenyl)-λ4-sulfane?
The canonical SMILES for ethoxy(triphenyl)-λ4-sulfane is CCOS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethoxy(triphenyl)-λ4-sulfane?
The InChIKey is BGRVPVIVUWTDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OS/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/h3-17H,2H2,1H3.
What are the key properties of ethoxy(triphenyl)-λ4-sulfane?
ethoxy(triphenyl)-λ4-sulfane has a molecular weight of 308.45 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(triphenyl)-λ4-sulfane is sourced from PubChem (CID 90120022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).