4-(2-imidazol-1-ylethylsulfanyl)phenol

C11H12N2OS — CID 61030826

IUPAC4-(2-imidazol-1-ylethylsulfanyl)phenol
SMILESOc1ccc(SCCn2ccnc2)cc1
InChIInChI=1S/C11H12N2OS/c14-10-1-3-11(4-2-10)15-8-7-13-6-5-12-9-13/h1-6,9,14H,7-8H2
InChIKeyJZECHODECWMNDX-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.38
Rot. Bonds4

About 4-(2-imidazol-1-ylethylsulfanyl)phenol

4-(2-imidazol-1-ylethylsulfanyl)phenol (PubChem CID 61030826) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethylsulfanyl)phenol.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethylsulfanyl)phenol
PubChem CID61030826
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-(2-imidazol-1-ylethylsulfanyl)phenol
SMILESOc1ccc(SCCn2ccnc2)cc1
InChIInChI=1S/C11H12N2OS/c14-10-1-3-11(4-2-10)15-8-7-13-6-5-12-9-13/h1-6,9,14H,7-8H2
InChIKeyJZECHODECWMNDX-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethylsulfanyl)phenol?
The IUPAC name of 4-(2-imidazol-1-ylethylsulfanyl)phenol (CID 61030826) is 4-(2-imidazol-1-ylethylsulfanyl)phenol.
What is the SMILES notation for 4-(2-imidazol-1-ylethylsulfanyl)phenol?
The canonical SMILES for 4-(2-imidazol-1-ylethylsulfanyl)phenol is Oc1ccc(SCCn2ccnc2)cc1.
What is the InChIKey of 4-(2-imidazol-1-ylethylsulfanyl)phenol?
The InChIKey is JZECHODECWMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-10-1-3-11(4-2-10)15-8-7-13-6-5-12-9-13/h1-6,9,14H,7-8H2.
What are the key properties of 4-(2-imidazol-1-ylethylsulfanyl)phenol?
4-(2-imidazol-1-ylethylsulfanyl)phenol has a molecular weight of 220.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethylsulfanyl)phenol is sourced from PubChem (CID 61030826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).