[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone

C25H18O2S2 — CID 169083095

IUPAC[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
SMILESO=C(c1ccc(Sc2ccccc2)cc1)c1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C25H18O2S2/c26-25(19-11-15-22(16-12-19)28-21-7-3-1-4-8-21)20-13-17-24(18-14-20)29(27)23-9-5-2-6-10-23/h1-18H
InChIKeyQHOWZVRIDKVKRW-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.24
Rot. Bonds6

About [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone

[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone (PubChem CID 169083095) has the molecular formula C25H18O2S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
PubChem CID169083095
Molecular FormulaC25H18O2S2
Molecular Weight414.55 g/mol
Exact Mass414.07
IUPAC Name[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
SMILESO=C(c1ccc(Sc2ccccc2)cc1)c1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C25H18O2S2/c26-25(19-11-15-22(16-12-19)28-21-7-3-1-4-8-21)20-13-17-24(18-14-20)29(27)23-9-5-2-6-10-23/h1-18H
InChIKeyQHOWZVRIDKVKRW-UHFFFAOYSA-N
XLogP6.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814
2-oxo-2-(4-phenylsulfanylphenyl)acetic acid
CID 59163537
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
(4-aminosulfanylphenyl)-phenylmethanone
CID 174353142
(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone
CID 141421522
phenylsulfanylbenzene;urea
CID 161199097

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone?
The IUPAC name of [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone (CID 169083095) is [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone is O=C(c1ccc(Sc2ccccc2)cc1)c1ccc(S(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone?
The InChIKey is QHOWZVRIDKVKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O2S2/c26-25(19-11-15-22(16-12-19)28-21-7-3-1-4-8-21)20-13-17-24(18-14-20)29(27)23-9-5-2-6-10-23/h1-18H.
What are the key properties of [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone?
[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone has a molecular weight of 414.55 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone is sourced from PubChem (CID 169083095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).