ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane

C20H19FS — CID 170407519

IUPACethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane
SMILESCCS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H19FS/c1-2-22(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20-15-13-17(21)14-16-20/h3-16H,2H2,1H3
InChIKeyGIANMDPLNGTGKM-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.13
Rot. Bonds4

About ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane

ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane (PubChem CID 170407519) has the molecular formula C20H19FS and a molecular weight of 310.44 g/mol. Its IUPAC name is ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane.

Molecular Properties

Compound Nameethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane
PubChem CID170407519
Molecular FormulaC20H19FS
Molecular Weight310.44 g/mol
Exact Mass310.12
IUPAC Nameethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane
SMILESCCS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H19FS/c1-2-22(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20-15-13-17(21)14-16-20/h3-16H,2H2,1H3
InChIKeyGIANMDPLNGTGKM-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane?
The IUPAC name of ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane (CID 170407519) is ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane.
What is the SMILES notation for ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane?
The canonical SMILES for ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane is CCS(c1ccccc1)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane?
The InChIKey is GIANMDPLNGTGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FS/c1-2-22(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20-15-13-17(21)14-16-20/h3-16H,2H2,1H3.
What are the key properties of ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane?
ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane has a molecular weight of 310.44 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-fluorophenyl)-diphenyl-λ4-sulfane is sourced from PubChem (CID 170407519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).