bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium

C25H23O2S3+ — CID 87435588

IUPACbis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium
SMILESCOc1ccc([S+](c2ccc(OC)cc2)c2ccc(Sc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C25H23O2S3/c1-18-4-10-21(11-5-18)28-24-16-17-25(29-24)30(22-12-6-19(26-2)7-13-22)23-14-8-20(27-3)9-15-23/h4-17H,1-3H3/q+1
InChIKeyRJLFEGHRSDOZTD-UHFFFAOYSA-N
MW451.66 g/mol
LogP7.32
Rot. Bonds7

About bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium

bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium (PubChem CID 87435588) has the molecular formula C25H23O2S3+ and a molecular weight of 451.66 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium.

Molecular Properties

Compound Namebis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium
PubChem CID87435588
Molecular FormulaC25H23O2S3+
Molecular Weight451.66 g/mol
Exact Mass451.09
IUPAC Namebis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium
SMILESCOc1ccc([S+](c2ccc(OC)cc2)c2ccc(Sc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C25H23O2S3/c1-18-4-10-21(11-5-18)28-24-16-17-25(29-24)30(22-12-6-19(26-2)7-13-22)23-14-8-20(27-3)9-15-23/h4-17H,1-3H3/q+1
InChIKeyRJLFEGHRSDOZTD-UHFFFAOYSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.66
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
bis(4-methylphenyl)-[5-(5-methylthiophen-2-yl)sulfanylthiophen-2-yl]sulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87436224
(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
CID 143927079
5-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
CID 21162525
1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone
CID 102101600
1-(113C)methoxy-4-methylbenzene
CID 166176950
[5-[5-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniothiophen-2-yl]sulfanylthiophen-2-yl]-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 87435753
[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
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
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

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium?
The IUPAC name of bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium (CID 87435588) is bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium.
What is the SMILES notation for bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium?
The canonical SMILES for bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium is COc1ccc([S+](c2ccc(OC)cc2)c2ccc(Sc3ccc(C)cc3)s2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium?
The InChIKey is RJLFEGHRSDOZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23O2S3/c1-18-4-10-21(11-5-18)28-24-16-17-25(29-24)30(22-12-6-19(26-2)7-13-22)23-14-8-20(27-3)9-15-23/h4-17H,1-3H3/q+1.
What are the key properties of bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium?
bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium has a molecular weight of 451.66 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-[5-(4-methylphenyl)sulfanylthiophen-2-yl]sulfanium is sourced from PubChem (CID 87435588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).