1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole

C7H14N2S — CID 171061505

IUPAC1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole
SMILESCSCCN1C=CN(C)C1
InChIInChI=1S/C7H14N2S/c1-8-3-4-9(7-8)5-6-10-2/h3-4H,5-7H2,1-2H3
InChIKeyYDEGSQPRBZKDDO-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.03
Rot. Bonds3

About 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole

1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole (PubChem CID 171061505) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole
PubChem CID171061505
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole
SMILESCSCCN1C=CN(C)C1
InChIInChI=1S/C7H14N2S/c1-8-3-4-9(7-8)5-6-10-2/h3-4H,5-7H2,1-2H3
InChIKeyYDEGSQPRBZKDDO-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole?
The IUPAC name of 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole (CID 171061505) is 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole?
The canonical SMILES for 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole is CSCCN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole?
The InChIKey is YDEGSQPRBZKDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-8-3-4-9(7-8)5-6-10-2/h3-4H,5-7H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole?
1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole has a molecular weight of 158.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole is sourced from PubChem (CID 171061505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).