[4-(4-aminophenoxy)phenyl]-oxosulfanium

C12H10NO2S+ — CID 174991384

IUPAC[4-(4-aminophenoxy)phenyl]-oxosulfanium
SMILESNc1ccc(Oc2ccc([S+]=O)cc2)cc1
InChIInChI=1S/C12H10NO2S/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11/h1-8H,13H2/q+1
InChIKeyWDRLYVFARYJCPC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.85
Rot. Bonds3

About [4-(4-aminophenoxy)phenyl]-oxosulfanium

[4-(4-aminophenoxy)phenyl]-oxosulfanium (PubChem CID 174991384) has the molecular formula C12H10NO2S+ and a molecular weight of 232.28 g/mol. Its IUPAC name is [4-(4-aminophenoxy)phenyl]-oxosulfanium.

Molecular Properties

Compound Name[4-(4-aminophenoxy)phenyl]-oxosulfanium
PubChem CID174991384
Molecular FormulaC12H10NO2S+
Molecular Weight232.28 g/mol
Exact Mass232.04
IUPAC Name[4-(4-aminophenoxy)phenyl]-oxosulfanium
SMILESNc1ccc(Oc2ccc([S+]=O)cc2)cc1
InChIInChI=1S/C12H10NO2S/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11/h1-8H,13H2/q+1
InChIKeyWDRLYVFARYJCPC-UHFFFAOYSA-N
XLogP2.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)aniline
CID 161415647
4-phenoxyaniline
CID 158390066
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-sulfophenyl]sulfonylbenzenesulfonic acid
CID 102323834
4-[4-(sulfonylamino)phenoxy]aniline
CID 141324616
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;sulfuric acid
CID 67649419
4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 19763520

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenoxy)phenyl]-oxosulfanium?
The IUPAC name of [4-(4-aminophenoxy)phenyl]-oxosulfanium (CID 174991384) is [4-(4-aminophenoxy)phenyl]-oxosulfanium.
What is the SMILES notation for [4-(4-aminophenoxy)phenyl]-oxosulfanium?
The canonical SMILES for [4-(4-aminophenoxy)phenyl]-oxosulfanium is Nc1ccc(Oc2ccc([S+]=O)cc2)cc1.
What is the InChIKey of [4-(4-aminophenoxy)phenyl]-oxosulfanium?
The InChIKey is WDRLYVFARYJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO2S/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11/h1-8H,13H2/q+1.
What are the key properties of [4-(4-aminophenoxy)phenyl]-oxosulfanium?
[4-(4-aminophenoxy)phenyl]-oxosulfanium has a molecular weight of 232.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenoxy)phenyl]-oxosulfanium is sourced from PubChem (CID 174991384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).