4-(4-aminophenyl)sulfanylphenol

C12H11NOS — CID 22026416

IUPAC4-(4-aminophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C12H11NOS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H,13H2
InChIKeyCCIRXAPQORDYNX-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.13
Rot. Bonds2

About 4-(4-aminophenyl)sulfanylphenol

4-(4-aminophenyl)sulfanylphenol (PubChem CID 22026416) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanylphenol
PubChem CID22026416
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name4-(4-aminophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C12H11NOS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H,13H2
InChIKeyCCIRXAPQORDYNX-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)sulfanylaniline
CID 8765
4-(4-aminophenyl)sulfanylaniline;pentahydrofluoride
CID 172767370
lithium;4-aminophenol;hydride
CID 173115053
sodium;4-aminophenol;hydride
CID 173115063
4-(4-amino-2-fluorophenyl)sulfanylphenol
CID 91879702
4-(4-amino-2-chlorophenyl)sulfanylphenol
CID 91879703
4-(4-iodophenyl)sulfanylphenol
CID 91879526
4-(4-hydroxyphenyl)sulfanylphenolate
CID 162468559
4-(4-aminophenyl)sulfanyl-2-iodophenol
CID 91879682
4-(4-amino-3-fluorophenyl)sulfanylphenol
CID 91879712
4-(4-aminophenyl)sulfanylbenzene-1,2-diamine
CID 10130826
4-pyridin-4-ylsulfanylphenol
CID 15080669

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanylphenol?
The IUPAC name of 4-(4-aminophenyl)sulfanylphenol (CID 22026416) is 4-(4-aminophenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-aminophenyl)sulfanylphenol?
The canonical SMILES for 4-(4-aminophenyl)sulfanylphenol is Nc1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanylphenol?
The InChIKey is CCIRXAPQORDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H,13H2.
What are the key properties of 4-(4-aminophenyl)sulfanylphenol?
4-(4-aminophenyl)sulfanylphenol has a molecular weight of 217.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanylphenol is sourced from PubChem (CID 22026416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).