2-amino-3-methylsulfanylphenol

C7H9NOS — CID 23540046

IUPAC2-amino-3-methylsulfanylphenol
SMILESCSc1cccc(O)c1N
InChIInChI=1S/C7H9NOS/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,8H2,1H3
InChIKeyWXUHUBSUIVPBGI-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.70
Rot. Bonds1

About 2-amino-3-methylsulfanylphenol

2-amino-3-methylsulfanylphenol (PubChem CID 23540046) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-amino-3-methylsulfanylphenol.

Molecular Properties

Compound Name2-amino-3-methylsulfanylphenol
PubChem CID23540046
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-amino-3-methylsulfanylphenol
SMILESCSc1cccc(O)c1N
InChIInChI=1S/C7H9NOS/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,8H2,1H3
InChIKeyWXUHUBSUIVPBGI-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.70
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-3-methylsulfanylphenol?
The IUPAC name of 2-amino-3-methylsulfanylphenol (CID 23540046) is 2-amino-3-methylsulfanylphenol.
What is the SMILES notation for 2-amino-3-methylsulfanylphenol?
The canonical SMILES for 2-amino-3-methylsulfanylphenol is CSc1cccc(O)c1N.
What is the InChIKey of 2-amino-3-methylsulfanylphenol?
The InChIKey is WXUHUBSUIVPBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,8H2,1H3.
What are the key properties of 2-amino-3-methylsulfanylphenol?
2-amino-3-methylsulfanylphenol has a molecular weight of 155.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylsulfanylphenol is sourced from PubChem (CID 23540046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).