5-propan-2-yloxy-2-sulfanylphenol

C9H12O2S — CID 10773849

IUPAC5-propan-2-yloxy-2-sulfanylphenol
SMILESCC(C)Oc1ccc(S)c(O)c1
InChIInChI=1S/C9H12O2S/c1-6(2)11-7-3-4-9(12)8(10)5-7/h3-6,10,12H,1-2H3
InChIKeyPDFLKGNJGXGEAO-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.47
Rot. Bonds2

About 5-propan-2-yloxy-2-sulfanylphenol

5-propan-2-yloxy-2-sulfanylphenol (PubChem CID 10773849) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-propan-2-yloxy-2-sulfanylphenol.

Molecular Properties

Compound Name5-propan-2-yloxy-2-sulfanylphenol
PubChem CID10773849
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5-propan-2-yloxy-2-sulfanylphenol
SMILESCC(C)Oc1ccc(S)c(O)c1
InChIInChI=1S/C9H12O2S/c1-6(2)11-7-3-4-9(12)8(10)5-7/h3-6,10,12H,1-2H3
InChIKeyPDFLKGNJGXGEAO-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-propan-2-yloxy-2-sulfanylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-2-sulfanylphenol?
The IUPAC name of 5-propan-2-yloxy-2-sulfanylphenol (CID 10773849) is 5-propan-2-yloxy-2-sulfanylphenol.
What is the SMILES notation for 5-propan-2-yloxy-2-sulfanylphenol?
The canonical SMILES for 5-propan-2-yloxy-2-sulfanylphenol is CC(C)Oc1ccc(S)c(O)c1.
What is the InChIKey of 5-propan-2-yloxy-2-sulfanylphenol?
The InChIKey is PDFLKGNJGXGEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6(2)11-7-3-4-9(12)8(10)5-7/h3-6,10,12H,1-2H3.
What are the key properties of 5-propan-2-yloxy-2-sulfanylphenol?
5-propan-2-yloxy-2-sulfanylphenol has a molecular weight of 184.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-2-sulfanylphenol is sourced from PubChem (CID 10773849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).