5-amino-2-ethylsulfanylphenol

C8H11NOS — CID 18997698

IUPAC5-amino-2-ethylsulfanylphenol
SMILESCCSc1ccc(N)cc1O
InChIInChI=1S/C8H11NOS/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,10H,2,9H2,1H3
InChIKeyKYSWJQAJCYJLJN-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.09
Rot. Bonds2

About 5-amino-2-ethylsulfanylphenol

5-amino-2-ethylsulfanylphenol (PubChem CID 18997698) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-amino-2-ethylsulfanylphenol.

Molecular Properties

Compound Name5-amino-2-ethylsulfanylphenol
PubChem CID18997698
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name5-amino-2-ethylsulfanylphenol
SMILESCCSc1ccc(N)cc1O
InChIInChI=1S/C8H11NOS/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,10H,2,9H2,1H3
InChIKeyKYSWJQAJCYJLJN-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethylsulfanylphenol?
The IUPAC name of 5-amino-2-ethylsulfanylphenol (CID 18997698) is 5-amino-2-ethylsulfanylphenol.
What is the SMILES notation for 5-amino-2-ethylsulfanylphenol?
The canonical SMILES for 5-amino-2-ethylsulfanylphenol is CCSc1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-ethylsulfanylphenol?
The InChIKey is KYSWJQAJCYJLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,10H,2,9H2,1H3.
What are the key properties of 5-amino-2-ethylsulfanylphenol?
5-amino-2-ethylsulfanylphenol has a molecular weight of 169.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethylsulfanylphenol is sourced from PubChem (CID 18997698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).