5-amino-2-(2-aminophenyl)sulfanylphenol

C12H12N2OS — CID 18997689

IUPAC5-amino-2-(2-aminophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccccc2N)c(O)c1
InChIInChI=1S/C12H12N2OS/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,15H,13-14H2
InChIKeyBHLODDDZEWWNFS-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.71
Rot. Bonds2

About 5-amino-2-(2-aminophenyl)sulfanylphenol

5-amino-2-(2-aminophenyl)sulfanylphenol (PubChem CID 18997689) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-amino-2-(2-aminophenyl)sulfanylphenol.

Molecular Properties

Compound Name5-amino-2-(2-aminophenyl)sulfanylphenol
PubChem CID18997689
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name5-amino-2-(2-aminophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccccc2N)c(O)c1
InChIInChI=1S/C12H12N2OS/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,15H,13-14H2
InChIKeyBHLODDDZEWWNFS-UHFFFAOYSA-N
XLogP2.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-aminophenyl)sulfanylphenol?
The IUPAC name of 5-amino-2-(2-aminophenyl)sulfanylphenol (CID 18997689) is 5-amino-2-(2-aminophenyl)sulfanylphenol.
What is the SMILES notation for 5-amino-2-(2-aminophenyl)sulfanylphenol?
The canonical SMILES for 5-amino-2-(2-aminophenyl)sulfanylphenol is Nc1ccc(Sc2ccccc2N)c(O)c1.
What is the InChIKey of 5-amino-2-(2-aminophenyl)sulfanylphenol?
The InChIKey is BHLODDDZEWWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,15H,13-14H2.
What are the key properties of 5-amino-2-(2-aminophenyl)sulfanylphenol?
5-amino-2-(2-aminophenyl)sulfanylphenol has a molecular weight of 232.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-aminophenyl)sulfanylphenol is sourced from PubChem (CID 18997689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).