[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium

C26H23OS+ — CID 23393598

IUPAC[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
SMILESCc1ccc(Oc2ccc([S+](c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H23OS/c1-20-8-12-22(13-9-20)27-23-14-18-26(19-15-23)28(24-6-4-3-5-7-24)25-16-10-21(2)11-17-25/h3-19H,1-2H3/q+1
InChIKeyFIRPGTDLIGFCLE-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.19
Rot. Bonds5

About [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium

[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium (PubChem CID 23393598) has the molecular formula C26H23OS+ and a molecular weight of 383.54 g/mol. Its IUPAC name is [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium.

Molecular Properties

Compound Name[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
PubChem CID23393598
Molecular FormulaC26H23OS+
Molecular Weight383.54 g/mol
Exact Mass383.15
IUPAC Name[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
SMILESCc1ccc(Oc2ccc([S+](c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H23OS/c1-20-8-12-22(13-9-20)27-23-14-18-26(19-15-23)28(24-6-4-3-5-7-24)25-16-10-21(2)11-17-25/h3-19H,1-2H3/q+1
InChIKeyFIRPGTDLIGFCLE-UHFFFAOYSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-tert-butylphenoxy)phenyl]-diphenylsulfanium;[4-(4-tert-butylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;[4-(4-methylphenoxy)phenyl]-diphenylsulfanium;[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;(4-methylphenyl)-(4-phenoxyphenyl)-phenylsulfanium
CID 161018367
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
bis[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)sulfanium
CID 162474039
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium
CID 160516311
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenoxy]phenyl]-phenylsulfanium
CID 157231516
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium
CID 160603208
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
CID 157116832
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
bis(4-methylphenyl)-phenylsulfanium tetrafluoroborate
CID 23133245
[4-[4-(2-ethoxy-2-oxoacetyl)phenoxy]phenyl]-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 162483924

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium?
The IUPAC name of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium (CID 23393598) is [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium.
What is the SMILES notation for [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium?
The canonical SMILES for [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium is Cc1ccc(Oc2ccc([S+](c3ccccc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium?
The InChIKey is FIRPGTDLIGFCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23OS/c1-20-8-12-22(13-9-20)27-23-14-18-26(19-15-23)28(24-6-4-3-5-7-24)25-16-10-21(2)11-17-25/h3-19H,1-2H3/q+1.
What are the key properties of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium?
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium has a molecular weight of 383.54 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium is sourced from PubChem (CID 23393598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).