4-methyl-2-methylsulfanylimidazole-1-carbonitrile

C6H7N3S — CID 134910311

IUPAC4-methyl-2-methylsulfanylimidazole-1-carbonitrile
SMILESCSc1nc(C)cn1C#N
InChIInChI=1S/C6H7N3S/c1-5-3-9(4-7)6(8-5)10-2/h3H,1-2H3
InChIKeyPZEBBSUAEPICTM-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.24
Rot. Bonds1

About 4-methyl-2-methylsulfanylimidazole-1-carbonitrile

4-methyl-2-methylsulfanylimidazole-1-carbonitrile (PubChem CID 134910311) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanylimidazole-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-methylsulfanylimidazole-1-carbonitrile
PubChem CID134910311
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name4-methyl-2-methylsulfanylimidazole-1-carbonitrile
SMILESCSc1nc(C)cn1C#N
InChIInChI=1S/C6H7N3S/c1-5-3-9(4-7)6(8-5)10-2/h3H,1-2H3
InChIKeyPZEBBSUAEPICTM-UHFFFAOYSA-N
XLogP1.24
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-methylsulfanylimidazole-1-carbonitrile 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 4-methyl-2-methylsulfanylimidazole-1-carbonitrile?
The IUPAC name of 4-methyl-2-methylsulfanylimidazole-1-carbonitrile (CID 134910311) is 4-methyl-2-methylsulfanylimidazole-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-methylsulfanylimidazole-1-carbonitrile?
The canonical SMILES for 4-methyl-2-methylsulfanylimidazole-1-carbonitrile is CSc1nc(C)cn1C#N.
What is the InChIKey of 4-methyl-2-methylsulfanylimidazole-1-carbonitrile?
The InChIKey is PZEBBSUAEPICTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-5-3-9(4-7)6(8-5)10-2/h3H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanylimidazole-1-carbonitrile?
4-methyl-2-methylsulfanylimidazole-1-carbonitrile has a molecular weight of 153.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanylimidazole-1-carbonitrile is sourced from PubChem (CID 134910311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).