2-(1H-imidazol-2-ylsulfanyl)ethanol

C5H8N2OS — CID 18917215

IUPAC2-(1H-imidazol-2-ylsulfanyl)ethanol
SMILESOCCSc1ncc[nH]1
InChIInChI=1S/C5H8N2OS/c8-3-4-9-5-6-1-2-7-5/h1-2,8H,3-4H2,(H,6,7)
InChIKeyKFGUJPNWHZXHTB-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.49
Rot. Bonds3

About 2-(1H-imidazol-2-ylsulfanyl)ethanol

2-(1H-imidazol-2-ylsulfanyl)ethanol (PubChem CID 18917215) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)ethanol
PubChem CID18917215
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)ethanol
SMILESOCCSc1ncc[nH]1
InChIInChI=1S/C5H8N2OS/c8-3-4-9-5-6-1-2-7-5/h1-2,8H,3-4H2,(H,6,7)
InChIKeyKFGUJPNWHZXHTB-UHFFFAOYSA-N
XLogP0.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1H-imidazol-2-ylsulfanyl)ethanol 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-(1H-imidazol-2-ylsulfanyl)ethanol?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)ethanol (CID 18917215) is 2-(1H-imidazol-2-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)ethanol?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)ethanol is OCCSc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)ethanol?
The InChIKey is KFGUJPNWHZXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c8-3-4-9-5-6-1-2-7-5/h1-2,8H,3-4H2,(H,6,7).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)ethanol?
2-(1H-imidazol-2-ylsulfanyl)ethanol has a molecular weight of 144.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)ethanol is sourced from PubChem (CID 18917215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).