1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone

C26H22OS — CID 66720884

IUPAC1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone
SMILESO=C(CS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22OS/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyCGSPAZRRAHSHQV-UHFFFAOYSA-N
MW382.53 g/mol
LogP6.85
Rot. Bonds6

About 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone

1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone (PubChem CID 66720884) has the molecular formula C26H22OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone
PubChem CID66720884
Molecular FormulaC26H22OS
Molecular Weight382.53 g/mol
Exact Mass382.14
IUPAC Name1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone
SMILESO=C(CS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22OS/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyCGSPAZRRAHSHQV-UHFFFAOYSA-N
XLogP6.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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sodium 2-oxo-2-phenylethanesulfonate
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1,3-diphenylpropane-1,3-dione;dihydrofluoride
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bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
benzene;2-hydroxy-1-phenylethanone
CID 174663024
N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
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2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
CID 1116105

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone?
The IUPAC name of 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone (CID 66720884) is 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone.
What is the SMILES notation for 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone?
The canonical SMILES for 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone is O=C(CS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone?
The InChIKey is CGSPAZRRAHSHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OS/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone?
1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone has a molecular weight of 382.53 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone is sourced from PubChem (CID 66720884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).