5-methyl-2-methylsulfanyl-1H-imidazole

C5H8N2S — CID 20706787

IUPAC5-methyl-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(C)[nH]1
InChIInChI=1S/C5H8N2S/c1-4-3-6-5(7-4)8-2/h3H,1-2H3,(H,6,7)
InChIKeyNZSDDQGIZSFYFD-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.44
Rot. Bonds1

About 5-methyl-2-methylsulfanyl-1H-imidazole

5-methyl-2-methylsulfanyl-1H-imidazole (PubChem CID 20706787) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-1H-imidazole
PubChem CID20706787
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name5-methyl-2-methylsulfanyl-1H-imidazole
SMILESCSc1ncc(C)[nH]1
InChIInChI=1S/C5H8N2S/c1-4-3-6-5(7-4)8-2/h3H,1-2H3,(H,6,7)
InChIKeyNZSDDQGIZSFYFD-UHFFFAOYSA-N
XLogP1.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-1H-imidazole?
The IUPAC name of 5-methyl-2-methylsulfanyl-1H-imidazole (CID 20706787) is 5-methyl-2-methylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-1H-imidazole?
The canonical SMILES for 5-methyl-2-methylsulfanyl-1H-imidazole is CSc1ncc(C)[nH]1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-1H-imidazole?
The InChIKey is NZSDDQGIZSFYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-3-6-5(7-4)8-2/h3H,1-2H3,(H,6,7).
What are the key properties of 5-methyl-2-methylsulfanyl-1H-imidazole?
5-methyl-2-methylsulfanyl-1H-imidazole has a molecular weight of 128.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-1H-imidazole is sourced from PubChem (CID 20706787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).