1,2-dimethyl-5-methylsulfanylimidazole

C6H10N2S — CID 10844489

IUPAC1,2-dimethyl-5-methylsulfanylimidazole
SMILESCSc1cnc(C)n1C
InChIInChI=1S/C6H10N2S/c1-5-7-4-6(9-3)8(5)2/h4H,1-3H3
InChIKeyJBORZHZEVHDQPO-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.45
Rot. Bonds1

About 1,2-dimethyl-5-methylsulfanylimidazole

1,2-dimethyl-5-methylsulfanylimidazole (PubChem CID 10844489) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1,2-dimethyl-5-methylsulfanylimidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-methylsulfanylimidazole
PubChem CID10844489
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1,2-dimethyl-5-methylsulfanylimidazole
SMILESCSc1cnc(C)n1C
InChIInChI=1S/C6H10N2S/c1-5-7-4-6(9-3)8(5)2/h4H,1-3H3
InChIKeyJBORZHZEVHDQPO-UHFFFAOYSA-N
XLogP1.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-dimethyl-5-methylsulfanylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-methylsulfanylimidazole?
The IUPAC name of 1,2-dimethyl-5-methylsulfanylimidazole (CID 10844489) is 1,2-dimethyl-5-methylsulfanylimidazole.
What is the SMILES notation for 1,2-dimethyl-5-methylsulfanylimidazole?
The canonical SMILES for 1,2-dimethyl-5-methylsulfanylimidazole is CSc1cnc(C)n1C.
What is the InChIKey of 1,2-dimethyl-5-methylsulfanylimidazole?
The InChIKey is JBORZHZEVHDQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5-7-4-6(9-3)8(5)2/h4H,1-3H3.
What are the key properties of 1,2-dimethyl-5-methylsulfanylimidazole?
1,2-dimethyl-5-methylsulfanylimidazole has a molecular weight of 142.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-methylsulfanylimidazole is sourced from PubChem (CID 10844489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).