5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol

C12H12N2O2S — CID 18997700

IUPAC5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(N)cc2O)c(O)c1
InChIInChI=1S/C12H12N2O2S/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,15-16H,13-14H2
InChIKeyOBHGJRLDUCVNMM-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.41
Rot. Bonds2

About 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol

5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol (PubChem CID 18997700) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol
PubChem CID18997700
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(N)cc2O)c(O)c1
InChIInChI=1S/C12H12N2O2S/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,15-16H,13-14H2
InChIKeyOBHGJRLDUCVNMM-UHFFFAOYSA-N
XLogP2.41
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(4-amino-2-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol (CID 18997700) is 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol is Nc1ccc(Sc2ccc(N)cc2O)c(O)c1.
What is the InChIKey of 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol?
The InChIKey is OBHGJRLDUCVNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,15-16H,13-14H2.
What are the key properties of 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol?
5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol has a molecular weight of 248.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-2-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 18997700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).