1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde

C7H8N2O2S — CID 10932102

IUPAC1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde
SMILESCSc1nc(C=O)c(C=O)n1C
InChIInChI=1S/C7H8N2O2S/c1-9-6(4-11)5(3-10)8-7(9)12-2/h3-4H,1-2H3
InChIKeyBTQMMOIKESOGRI-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.77
Rot. Bonds3

About 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde

1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde (PubChem CID 10932102) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde
PubChem CID10932102
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde
SMILESCSc1nc(C=O)c(C=O)n1C
InChIInChI=1S/C7H8N2O2S/c1-9-6(4-11)5(3-10)8-7(9)12-2/h3-4H,1-2H3
InChIKeyBTQMMOIKESOGRI-UHFFFAOYSA-N
XLogP0.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde?
The IUPAC name of 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde (CID 10932102) is 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde.
What is the SMILES notation for 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde?
The canonical SMILES for 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde is CSc1nc(C=O)c(C=O)n1C.
What is the InChIKey of 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde?
The InChIKey is BTQMMOIKESOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-9-6(4-11)5(3-10)8-7(9)12-2/h3-4H,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde?
1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde has a molecular weight of 184.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanylimidazole-4,5-dicarbaldehyde is sourced from PubChem (CID 10932102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).