2-amino-6-ethyl-3-methylsulfanylphenol

C9H13NOS — CID 150636758

IUPAC2-amino-6-ethyl-3-methylsulfanylphenol
SMILESCCc1ccc(SC)c(N)c1O
InChIInChI=1S/C9H13NOS/c1-3-6-4-5-7(12-2)8(10)9(6)11/h4-5,11H,3,10H2,1-2H3
InChIKeyIZAZWVUVPBEJLN-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.26
Rot. Bonds2

About 2-amino-6-ethyl-3-methylsulfanylphenol

2-amino-6-ethyl-3-methylsulfanylphenol (PubChem CID 150636758) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-amino-6-ethyl-3-methylsulfanylphenol.

Molecular Properties

Compound Name2-amino-6-ethyl-3-methylsulfanylphenol
PubChem CID150636758
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-amino-6-ethyl-3-methylsulfanylphenol
SMILESCCc1ccc(SC)c(N)c1O
InChIInChI=1S/C9H13NOS/c1-3-6-4-5-7(12-2)8(10)9(6)11/h4-5,11H,3,10H2,1-2H3
InChIKeyIZAZWVUVPBEJLN-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.26
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-6-ethyl-3-methylsulfanylphenol?
The IUPAC name of 2-amino-6-ethyl-3-methylsulfanylphenol (CID 150636758) is 2-amino-6-ethyl-3-methylsulfanylphenol.
What is the SMILES notation for 2-amino-6-ethyl-3-methylsulfanylphenol?
The canonical SMILES for 2-amino-6-ethyl-3-methylsulfanylphenol is CCc1ccc(SC)c(N)c1O.
What is the InChIKey of 2-amino-6-ethyl-3-methylsulfanylphenol?
The InChIKey is IZAZWVUVPBEJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-6-4-5-7(12-2)8(10)9(6)11/h4-5,11H,3,10H2,1-2H3.
What are the key properties of 2-amino-6-ethyl-3-methylsulfanylphenol?
2-amino-6-ethyl-3-methylsulfanylphenol has a molecular weight of 183.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-3-methylsulfanylphenol is sourced from PubChem (CID 150636758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).