[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol

C10H10N2OS — CID 107783417

IUPAC[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
SMILESOCc1ccc(Sc2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2OS/c13-7-8-1-3-9(4-2-8)14-10-11-5-6-12-10/h1-6,13H,7H2,(H,11,12)
InChIKeyILUFGISDSCCTLU-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.05
Rot. Bonds3

About [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol

[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol (PubChem CID 107783417) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
PubChem CID107783417
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
SMILESOCc1ccc(Sc2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2OS/c13-7-8-1-3-9(4-2-8)14-10-11-5-6-12-10/h1-6,13H,7H2,(H,11,12)
InChIKeyILUFGISDSCCTLU-UHFFFAOYSA-N
XLogP2.05
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol?
The IUPAC name of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol (CID 107783417) is [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol.
What is the SMILES notation for [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol?
The canonical SMILES for [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol is OCc1ccc(Sc2ncc[nH]2)cc1.
What is the InChIKey of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol?
The InChIKey is ILUFGISDSCCTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-7-8-1-3-9(4-2-8)14-10-11-5-6-12-10/h1-6,13H,7H2,(H,11,12).
What are the key properties of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol?
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol has a molecular weight of 206.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol is sourced from PubChem (CID 107783417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).