[4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium

C24H28NOS+ — CID 140732276

IUPAC[4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
SMILESCc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCN(C)C
InChIInChI=1S/C24H28NOS/c1-19-17-23(18-20(2)24(19)26-16-15-25(3)4)27(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18H,15-16H2,1-4H3/q+1
InChIKeyGMJOKRULSWXJLX-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.34
Rot. Bonds7

About [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium

[4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium (PubChem CID 140732276) has the molecular formula C24H28NOS+ and a molecular weight of 378.56 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
PubChem CID140732276
Molecular FormulaC24H28NOS+
Molecular Weight378.56 g/mol
Exact Mass378.19
IUPAC Name[4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
SMILESCc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCN(C)C
InChIInChI=1S/C24H28NOS/c1-19-17-23(18-20(2)24(19)26-16-15-25(3)4)27(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18H,15-16H2,1-4H3/q+1
InChIKeyGMJOKRULSWXJLX-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium (CID 140732276) is [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium is Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCN(C)C.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium?
The InChIKey is GMJOKRULSWXJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NOS/c1-19-17-23(18-20(2)24(19)26-16-15-25(3)4)27(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18H,15-16H2,1-4H3/q+1.
What are the key properties of [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium?
[4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium has a molecular weight of 378.56 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium is sourced from PubChem (CID 140732276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).