1-methyl-3-methylsulfanyl-2H-imidazole

C5H10N2S — CID 118903214

IUPAC1-methyl-3-methylsulfanyl-2H-imidazole
SMILESCSN1C=CN(C)C1
InChIInChI=1S/C5H10N2S/c1-6-3-4-7(5-6)8-2/h3-4H,5H2,1-2H3
InChIKeyYJAPLFSDBLRZGV-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.94
Rot. Bonds1

About 1-methyl-3-methylsulfanyl-2H-imidazole

1-methyl-3-methylsulfanyl-2H-imidazole (PubChem CID 118903214) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyl-2H-imidazole
PubChem CID118903214
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-methyl-3-methylsulfanyl-2H-imidazole
SMILESCSN1C=CN(C)C1
InChIInChI=1S/C5H10N2S/c1-6-3-4-7(5-6)8-2/h3-4H,5H2,1-2H3
InChIKeyYJAPLFSDBLRZGV-UHFFFAOYSA-N
XLogP0.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyl-2H-imidazole?
The IUPAC name of 1-methyl-3-methylsulfanyl-2H-imidazole (CID 118903214) is 1-methyl-3-methylsulfanyl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-methylsulfanyl-2H-imidazole?
The canonical SMILES for 1-methyl-3-methylsulfanyl-2H-imidazole is CSN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-methylsulfanyl-2H-imidazole?
The InChIKey is YJAPLFSDBLRZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-6-3-4-7(5-6)8-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanyl-2H-imidazole?
1-methyl-3-methylsulfanyl-2H-imidazole has a molecular weight of 130.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyl-2H-imidazole is sourced from PubChem (CID 118903214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).