butoxy(triphenyl)-λ4-sulfane;hydrofluoride

C22H25FOS — CID 174518510

IUPACbutoxy(triphenyl)-λ4-sulfane;hydrofluoride
SMILESCCCCOS(c1ccccc1)(c1ccccc1)c1ccccc1.F
InChIInChI=1S/C22H24OS.FH/c1-2-3-19-23-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H
InChIKeyLLXHQWVMLULJNG-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.85
Rot. Bonds7

About butoxy(triphenyl)-λ4-sulfane;hydrofluoride

butoxy(triphenyl)-λ4-sulfane;hydrofluoride (PubChem CID 174518510) has the molecular formula C22H25FOS and a molecular weight of 356.51 g/mol. Its IUPAC name is butoxy(triphenyl)-λ4-sulfane;hydrofluoride.

Molecular Properties

Compound Namebutoxy(triphenyl)-λ4-sulfane;hydrofluoride
PubChem CID174518510
Molecular FormulaC22H25FOS
Molecular Weight356.51 g/mol
Exact Mass356.16
IUPAC Namebutoxy(triphenyl)-λ4-sulfane;hydrofluoride
SMILESCCCCOS(c1ccccc1)(c1ccccc1)c1ccccc1.F
InChIInChI=1S/C22H24OS.FH/c1-2-3-19-23-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H
InChIKeyLLXHQWVMLULJNG-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butoxy(triphenyl)-λ4-sulfane;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butoxy(triphenyl)-λ4-sulfane;hydrofluoride?
The IUPAC name of butoxy(triphenyl)-λ4-sulfane;hydrofluoride (CID 174518510) is butoxy(triphenyl)-λ4-sulfane;hydrofluoride.
What is the SMILES notation for butoxy(triphenyl)-λ4-sulfane;hydrofluoride?
The canonical SMILES for butoxy(triphenyl)-λ4-sulfane;hydrofluoride is CCCCOS(c1ccccc1)(c1ccccc1)c1ccccc1.F.
What is the InChIKey of butoxy(triphenyl)-λ4-sulfane;hydrofluoride?
The InChIKey is LLXHQWVMLULJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24OS.FH/c1-2-3-19-23-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H.
What are the key properties of butoxy(triphenyl)-λ4-sulfane;hydrofluoride?
butoxy(triphenyl)-λ4-sulfane;hydrofluoride has a molecular weight of 356.51 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(triphenyl)-λ4-sulfane;hydrofluoride is sourced from PubChem (CID 174518510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).