1-ethyl-2-methylsulfanylimidazole

C6H10N2S — CID 12503267

IUPAC1-ethyl-2-methylsulfanylimidazole
SMILESCCn1ccnc1SC
InChIInChI=1S/C6H10N2S/c1-3-8-5-4-7-6(8)9-2/h4-5H,3H2,1-2H3
InChIKeyOGAFBRKBGIBVQO-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.62
Rot. Bonds2

About 1-ethyl-2-methylsulfanylimidazole

1-ethyl-2-methylsulfanylimidazole (PubChem CID 12503267) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1-ethyl-2-methylsulfanylimidazole.

Molecular Properties

Compound Name1-ethyl-2-methylsulfanylimidazole
PubChem CID12503267
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1-ethyl-2-methylsulfanylimidazole
SMILESCCn1ccnc1SC
InChIInChI=1S/C6H10N2S/c1-3-8-5-4-7-6(8)9-2/h4-5H,3H2,1-2H3
InChIKeyOGAFBRKBGIBVQO-UHFFFAOYSA-N
XLogP1.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylsulfanylimidazole?
The IUPAC name of 1-ethyl-2-methylsulfanylimidazole (CID 12503267) is 1-ethyl-2-methylsulfanylimidazole.
What is the SMILES notation for 1-ethyl-2-methylsulfanylimidazole?
The canonical SMILES for 1-ethyl-2-methylsulfanylimidazole is CCn1ccnc1SC.
What is the InChIKey of 1-ethyl-2-methylsulfanylimidazole?
The InChIKey is OGAFBRKBGIBVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-8-5-4-7-6(8)9-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylsulfanylimidazole?
1-ethyl-2-methylsulfanylimidazole has a molecular weight of 142.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylsulfanylimidazole is sourced from PubChem (CID 12503267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).