2-[(E)-2-methylsulfonylethenyl]-1H-imidazole

C6H8N2O2S — CID 118401495

IUPAC2-[(E)-2-methylsulfonylethenyl]-1H-imidazole
SMILESCS(=O)(=O)/C=C/c1ncc[nH]1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)5-2-6-7-3-4-8-6/h2-5H,1H3,(H,7,8)/b5-2+
InChIKeyCVWKRMFSTHRWHX-GORDUTHDSA-N
MW172.21 g/mol
LogP0.43
Rot. Bonds2

About 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole

2-[(E)-2-methylsulfonylethenyl]-1H-imidazole (PubChem CID 118401495) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-methylsulfonylethenyl]-1H-imidazole
PubChem CID118401495
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-[(E)-2-methylsulfonylethenyl]-1H-imidazole
SMILESCS(=O)(=O)/C=C/c1ncc[nH]1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)5-2-6-7-3-4-8-6/h2-5H,1H3,(H,7,8)/b5-2+
InChIKeyCVWKRMFSTHRWHX-GORDUTHDSA-N
XLogP0.43
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole?
The IUPAC name of 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole (CID 118401495) is 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole?
The canonical SMILES for 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole is CS(=O)(=O)/C=C/c1ncc[nH]1.
What is the InChIKey of 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole?
The InChIKey is CVWKRMFSTHRWHX-GORDUTHDSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-11(9,10)5-2-6-7-3-4-8-6/h2-5H,1H3,(H,7,8)/b5-2+.
What are the key properties of 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole?
2-[(E)-2-methylsulfonylethenyl]-1H-imidazole has a molecular weight of 172.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylsulfonylethenyl]-1H-imidazole is sourced from PubChem (CID 118401495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).