2-(2-sulfanylphenyl)propan-2-ol

C9H12OS — CID 11636873

IUPAC2-(2-sulfanylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1S
InChIInChI=1S/C9H12OS/c1-9(2,10)7-5-3-4-6-8(7)11/h3-6,10-11H,1-2H3
InChIKeyANPHMSOATLGHHF-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.20
Rot. Bonds1

About 2-(2-sulfanylphenyl)propan-2-ol

2-(2-sulfanylphenyl)propan-2-ol (PubChem CID 11636873) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(2-sulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-sulfanylphenyl)propan-2-ol
PubChem CID11636873
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name2-(2-sulfanylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1S
InChIInChI=1S/C9H12OS/c1-9(2,10)7-5-3-4-6-8(7)11/h3-6,10-11H,1-2H3
InChIKeyANPHMSOATLGHHF-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-sulfanylphenyl)propan-2-ol 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 2-(2-sulfanylphenyl)propan-2-ol?
The IUPAC name of 2-(2-sulfanylphenyl)propan-2-ol (CID 11636873) is 2-(2-sulfanylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-sulfanylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-sulfanylphenyl)propan-2-ol is CC(C)(O)c1ccccc1S.
What is the InChIKey of 2-(2-sulfanylphenyl)propan-2-ol?
The InChIKey is ANPHMSOATLGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-9(2,10)7-5-3-4-6-8(7)11/h3-6,10-11H,1-2H3.
What are the key properties of 2-(2-sulfanylphenyl)propan-2-ol?
2-(2-sulfanylphenyl)propan-2-ol has a molecular weight of 168.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylphenyl)propan-2-ol is sourced from PubChem (CID 11636873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).