[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium

C16H19O2S2+ — CID 166590302

IUPAC[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium
SMILESCOc1ccc(Sc2ccc(OC)cc2[S+](C)C)cc1
InChIInChI=1S/C16H19O2S2/c1-17-12-5-8-14(9-6-12)19-15-10-7-13(18-2)11-16(15)20(3)4/h5-11H,1-4H3/q+1
InChIKeyVQGKWPKLVPBDBP-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.09
Rot. Bonds5

About [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium

[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium (PubChem CID 166590302) has the molecular formula C16H19O2S2+ and a molecular weight of 307.46 g/mol. Its IUPAC name is [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium.

Molecular Properties

Compound Name[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium
PubChem CID166590302
Molecular FormulaC16H19O2S2+
Molecular Weight307.46 g/mol
Exact Mass307.08
IUPAC Name[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium
SMILESCOc1ccc(Sc2ccc(OC)cc2[S+](C)C)cc1
InChIInChI=1S/C16H19O2S2/c1-17-12-5-8-14(9-6-12)19-15-10-7-13(18-2)11-16(15)20(3)4/h5-11H,1-4H3/q+1
InChIKeyVQGKWPKLVPBDBP-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium?
The IUPAC name of [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium (CID 166590302) is [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium.
What is the SMILES notation for [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium?
The canonical SMILES for [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium is COc1ccc(Sc2ccc(OC)cc2[S+](C)C)cc1.
What is the InChIKey of [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium?
The InChIKey is VQGKWPKLVPBDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2S2/c1-17-12-5-8-14(9-6-12)19-15-10-7-13(18-2)11-16(15)20(3)4/h5-11H,1-4H3/q+1.
What are the key properties of [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium?
[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium has a molecular weight of 307.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium is sourced from PubChem (CID 166590302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).