phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone

C19H14OS3 — CID 175488031

IUPACphenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(SSc2ccc(S)cc2)cc1
InChIInChI=1S/C19H14OS3/c20-19(14-4-2-1-3-5-14)15-6-10-17(11-7-15)22-23-18-12-8-16(21)9-13-18/h1-13,21H
InChIKeyVIWCCEWEOKKADZ-UHFFFAOYSA-N
MW354.52 g/mol
LogP6.01
Rot. Bonds5

About phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone

phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone (PubChem CID 175488031) has the molecular formula C19H14OS3 and a molecular weight of 354.52 g/mol. Its IUPAC name is phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone
PubChem CID175488031
Molecular FormulaC19H14OS3
Molecular Weight354.52 g/mol
Exact Mass354.02
IUPAC Namephenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(SSc2ccc(S)cc2)cc1
InChIInChI=1S/C19H14OS3/c20-19(14-4-2-1-3-5-14)15-6-10-17(11-7-15)22-23-18-12-8-16(21)9-13-18/h1-13,21H
InChIKeyVIWCCEWEOKKADZ-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone 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

aniline;bis(4-sulfanylphenyl)methanone
CID 18508820
(4-aminosulfanylphenyl)-phenylmethanone
CID 174353142
diphenylmethanone
CID 3102
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
diphenylmethanone;hydron;fluoride
CID 21465824
diphenylmethanone;ethane
CID 158014879
magnesium;diphenylmethanone;hydride
CID 175114327
(4-hydroxyphenyl)-phenylmethanone
CID 139062648

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone?
The IUPAC name of phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone (CID 175488031) is phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone is O=C(c1ccccc1)c1ccc(SSc2ccc(S)cc2)cc1.
What is the InChIKey of phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone?
The InChIKey is VIWCCEWEOKKADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14OS3/c20-19(14-4-2-1-3-5-14)15-6-10-17(11-7-15)22-23-18-12-8-16(21)9-13-18/h1-13,21H.
What are the key properties of phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone?
phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone has a molecular weight of 354.52 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone is sourced from PubChem (CID 175488031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).