2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole

C6H8N2OS — CID 107780486

IUPAC2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole
SMILESc1c[nH]c(SCC2CO2)n1
InChIInChI=1S/C6H8N2OS/c1-2-8-6(7-1)10-4-5-3-9-5/h1-2,5H,3-4H2,(H,7,8)
InChIKeyFUECQHPFRMDXBC-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.90
Rot. Bonds3

About 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole

2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole (PubChem CID 107780486) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole.

Molecular Properties

Compound Name2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole
PubChem CID107780486
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole
SMILESc1c[nH]c(SCC2CO2)n1
InChIInChI=1S/C6H8N2OS/c1-2-8-6(7-1)10-4-5-3-9-5/h1-2,5H,3-4H2,(H,7,8)
InChIKeyFUECQHPFRMDXBC-UHFFFAOYSA-N
XLogP0.90
TPSA41.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole?
The IUPAC name of 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole (CID 107780486) is 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole.
What is the SMILES notation for 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole?
The canonical SMILES for 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole is c1c[nH]c(SCC2CO2)n1.
What is the InChIKey of 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole?
The InChIKey is FUECQHPFRMDXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-8-6(7-1)10-4-5-3-9-5/h1-2,5H,3-4H2,(H,7,8).
What are the key properties of 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole?
2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole has a molecular weight of 156.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole is sourced from PubChem (CID 107780486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).