[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene

C26H22O2S3 — CID 57348808

IUPAC[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene
SMILESO=S(=O)(C(Sc1ccccc1)c1ccccc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H22O2S3/c27-31(28,25(21-13-5-1-6-14-21)29-23-17-9-3-10-18-23)26(22-15-7-2-8-16-22)30-24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyMGAIVXAKNMHMOC-UHFFFAOYSA-N
MW462.66 g/mol
LogP7.38
Rot. Bonds8

About [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene

[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene (PubChem CID 57348808) has the molecular formula C26H22O2S3 and a molecular weight of 462.66 g/mol. Its IUPAC name is [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene.

Molecular Properties

Compound Name[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene
PubChem CID57348808
Molecular FormulaC26H22O2S3
Molecular Weight462.66 g/mol
Exact Mass462.08
IUPAC Name[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene
SMILESO=S(=O)(C(Sc1ccccc1)c1ccccc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H22O2S3/c27-31(28,25(21-13-5-1-6-14-21)29-23-17-9-3-10-18-23)26(22-15-7-2-8-16-22)30-24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyMGAIVXAKNMHMOC-UHFFFAOYSA-N
XLogP7.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

[chloro(phenyl)methyl]sulfanylbenzene
CID 12914700
phenyl(phenylsulfanyl)methanethiol
CID 54438170
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
bis(trifluoromethylsulfonyl)methylsulfanylbenzene
CID 162538123
1-(benzenesulfonyl)ethylsulfanylbenzene
CID 10869623
[phenylsulfanyl(phosphono)methyl]phosphonic acid
CID 13305339
(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
CID 11550833
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831
(3S)-3-phenyl-3-phenylsulfanylpropanoic acid
CID 3246038
2-phenyl-2-phenylsulfanylethanol
CID 11264720
1-phenylprop-2-ynylsulfanylbenzene
CID 101226284

Frequently Asked Questions

What is the IUPAC name of [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene?
The IUPAC name of [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene (CID 57348808) is [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene.
What is the SMILES notation for [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene?
The canonical SMILES for [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene is O=S(=O)(C(Sc1ccccc1)c1ccccc1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene?
The InChIKey is MGAIVXAKNMHMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2S3/c27-31(28,25(21-13-5-1-6-14-21)29-23-17-9-3-10-18-23)26(22-15-7-2-8-16-22)30-24-19-11-4-12-20-24/h1-20,25-26H.
What are the key properties of [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene?
[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene has a molecular weight of 462.66 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene is sourced from PubChem (CID 57348808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).