4-[(4-aminophenyl)disulfanyl]phenol

C12H11NOS2 — CID 57170407

IUPAC4-[(4-aminophenyl)disulfanyl]phenol
SMILESNc1ccc(SSc2ccc(O)cc2)cc1
InChIInChI=1S/C12H11NOS2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,14H,13H2
InChIKeyPVLNJGVEXUTCIX-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.77
Rot. Bonds3

About 4-[(4-aminophenyl)disulfanyl]phenol

4-[(4-aminophenyl)disulfanyl]phenol (PubChem CID 57170407) has the molecular formula C12H11NOS2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(4-aminophenyl)disulfanyl]phenol.

Molecular Properties

Compound Name4-[(4-aminophenyl)disulfanyl]phenol
PubChem CID57170407
Molecular FormulaC12H11NOS2
Molecular Weight249.36 g/mol
Exact Mass249.03
IUPAC Name4-[(4-aminophenyl)disulfanyl]phenol
SMILESNc1ccc(SSc2ccc(O)cc2)cc1
InChIInChI=1S/C12H11NOS2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,14H,13H2
InChIKeyPVLNJGVEXUTCIX-UHFFFAOYSA-N
XLogP3.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)disulfanyl]phenol?
The IUPAC name of 4-[(4-aminophenyl)disulfanyl]phenol (CID 57170407) is 4-[(4-aminophenyl)disulfanyl]phenol.
What is the SMILES notation for 4-[(4-aminophenyl)disulfanyl]phenol?
The canonical SMILES for 4-[(4-aminophenyl)disulfanyl]phenol is Nc1ccc(SSc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)disulfanyl]phenol?
The InChIKey is PVLNJGVEXUTCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,14H,13H2.
What are the key properties of 4-[(4-aminophenyl)disulfanyl]phenol?
4-[(4-aminophenyl)disulfanyl]phenol has a molecular weight of 249.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)disulfanyl]phenol is sourced from PubChem (CID 57170407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).