4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol

C14H16N2O2S — CID 118867595

IUPAC4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol
SMILESCc1cc(O)c(Sc2cc(O)c(C)cc2N)cc1N
InChIInChI=1S/C14H16N2O2S/c1-7-4-12(18)14(5-9(7)15)19-13-6-11(17)8(2)3-10(13)16/h3-6,17-18H,15-16H2,1-2H3
InChIKeyVIZVBQPEMMWCAD-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.03
Rot. Bonds2

About 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol

4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol (PubChem CID 118867595) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol.

Molecular Properties

Compound Name4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol
PubChem CID118867595
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol
SMILESCc1cc(O)c(Sc2cc(O)c(C)cc2N)cc1N
InChIInChI=1S/C14H16N2O2S/c1-7-4-12(18)14(5-9(7)15)19-13-6-11(17)8(2)3-10(13)16/h3-6,17-18H,15-16H2,1-2H3
InChIKeyVIZVBQPEMMWCAD-UHFFFAOYSA-N
XLogP3.03
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol?
The IUPAC name of 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol (CID 118867595) is 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol.
What is the SMILES notation for 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol?
The canonical SMILES for 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol is Cc1cc(O)c(Sc2cc(O)c(C)cc2N)cc1N.
What is the InChIKey of 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol?
The InChIKey is VIZVBQPEMMWCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-7-4-12(18)14(5-9(7)15)19-13-6-11(17)8(2)3-10(13)16/h3-6,17-18H,15-16H2,1-2H3.
What are the key properties of 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol?
4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol has a molecular weight of 276.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol is sourced from PubChem (CID 118867595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).