2-amino-4-(4-methylphenyl)sulfinylphenol

C13H13NO2S — CID 70533370

IUPAC2-amino-4-(4-methylphenyl)sulfinylphenol
SMILESCc1ccc(S(=O)c2ccc(O)c(N)c2)cc1
InChIInChI=1S/C13H13NO2S/c1-9-2-4-10(5-3-9)17(16)11-6-7-13(15)12(14)8-11/h2-8,15H,14H2,1H3
InChIKeyBGKFVMBZXJHQBI-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.45
Rot. Bonds2

About 2-amino-4-(4-methylphenyl)sulfinylphenol

2-amino-4-(4-methylphenyl)sulfinylphenol (PubChem CID 70533370) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-amino-4-(4-methylphenyl)sulfinylphenol.

Molecular Properties

Compound Name2-amino-4-(4-methylphenyl)sulfinylphenol
PubChem CID70533370
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-amino-4-(4-methylphenyl)sulfinylphenol
SMILESCc1ccc(S(=O)c2ccc(O)c(N)c2)cc1
InChIInChI=1S/C13H13NO2S/c1-9-2-4-10(5-3-9)17(16)11-6-7-13(15)12(14)8-11/h2-8,15H,14H2,1H3
InChIKeyBGKFVMBZXJHQBI-UHFFFAOYSA-N
XLogP2.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylphenyl)sulfinylphenol?
The IUPAC name of 2-amino-4-(4-methylphenyl)sulfinylphenol (CID 70533370) is 2-amino-4-(4-methylphenyl)sulfinylphenol.
What is the SMILES notation for 2-amino-4-(4-methylphenyl)sulfinylphenol?
The canonical SMILES for 2-amino-4-(4-methylphenyl)sulfinylphenol is Cc1ccc(S(=O)c2ccc(O)c(N)c2)cc1.
What is the InChIKey of 2-amino-4-(4-methylphenyl)sulfinylphenol?
The InChIKey is BGKFVMBZXJHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-2-4-10(5-3-9)17(16)11-6-7-13(15)12(14)8-11/h2-8,15H,14H2,1H3.
What are the key properties of 2-amino-4-(4-methylphenyl)sulfinylphenol?
2-amino-4-(4-methylphenyl)sulfinylphenol has a molecular weight of 247.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylphenyl)sulfinylphenol is sourced from PubChem (CID 70533370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).