1,2-dimethyl-3-methylsulfanyl-2H-imidazole

C6H12N2S — CID 89067173

IUPAC1,2-dimethyl-3-methylsulfanyl-2H-imidazole
SMILESCSN1C=CN(C)C1C
InChIInChI=1S/C6H12N2S/c1-6-7(2)4-5-8(6)9-3/h4-6H,1-3H3
InChIKeyUUKAJRILJHFLKC-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.33
Rot. Bonds1

About 1,2-dimethyl-3-methylsulfanyl-2H-imidazole

1,2-dimethyl-3-methylsulfanyl-2H-imidazole (PubChem CID 89067173) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylsulfanyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dimethyl-3-methylsulfanyl-2H-imidazole
PubChem CID89067173
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1,2-dimethyl-3-methylsulfanyl-2H-imidazole
SMILESCSN1C=CN(C)C1C
InChIInChI=1S/C6H12N2S/c1-6-7(2)4-5-8(6)9-3/h4-6H,1-3H3
InChIKeyUUKAJRILJHFLKC-UHFFFAOYSA-N
XLogP1.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.33
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 1,2-dimethyl-3-methylsulfanyl-2H-imidazole?
The IUPAC name of 1,2-dimethyl-3-methylsulfanyl-2H-imidazole (CID 89067173) is 1,2-dimethyl-3-methylsulfanyl-2H-imidazole.
What is the SMILES notation for 1,2-dimethyl-3-methylsulfanyl-2H-imidazole?
The canonical SMILES for 1,2-dimethyl-3-methylsulfanyl-2H-imidazole is CSN1C=CN(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-methylsulfanyl-2H-imidazole?
The InChIKey is UUKAJRILJHFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-6-7(2)4-5-8(6)9-3/h4-6H,1-3H3.
What are the key properties of 1,2-dimethyl-3-methylsulfanyl-2H-imidazole?
1,2-dimethyl-3-methylsulfanyl-2H-imidazole has a molecular weight of 144.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylsulfanyl-2H-imidazole is sourced from PubChem (CID 89067173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).