(triphenyl-λ4-sulfanyl) acetate

C20H18O2S — CID 57091785

IUPAC(triphenyl-λ4-sulfanyl) acetate
SMILESCC(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O2S/c1-17(21)22-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyCRDMINKFWKKTMU-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.45
Rot. Bonds4

About (triphenyl-λ4-sulfanyl) acetate

(triphenyl-λ4-sulfanyl) acetate (PubChem CID 57091785) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) acetate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) acetate
PubChem CID57091785
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Name(triphenyl-λ4-sulfanyl) acetate
SMILESCC(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O2S/c1-17(21)22-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyCRDMINKFWKKTMU-UHFFFAOYSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) acetate?
The IUPAC name of (triphenyl-λ4-sulfanyl) acetate (CID 57091785) is (triphenyl-λ4-sulfanyl) acetate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) acetate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) acetate is CC(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (triphenyl-λ4-sulfanyl) acetate?
The InChIKey is CRDMINKFWKKTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c1-17(21)22-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of (triphenyl-λ4-sulfanyl) acetate?
(triphenyl-λ4-sulfanyl) acetate has a molecular weight of 322.43 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) acetate is sourced from PubChem (CID 57091785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).