1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde

C7H8N2OS — CID 142201674

IUPAC1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde
SMILESCN1C=C(C=O)N(C)C1=C=S
InChIInChI=1S/C7H8N2OS/c1-8-3-6(4-10)9(2)7(8)5-11/h3-4H,1-2H3
InChIKeyWWPRBQGQNQIXAV-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.34
Rot. Bonds1

About 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde

1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde (PubChem CID 142201674) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde
PubChem CID142201674
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde
SMILESCN1C=C(C=O)N(C)C1=C=S
InChIInChI=1S/C7H8N2OS/c1-8-3-6(4-10)9(2)7(8)5-11/h3-4H,1-2H3
InChIKeyWWPRBQGQNQIXAV-UHFFFAOYSA-N
XLogP0.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-1-methyl-2H-imidazole-4-carbaldehyde
CID 164914683
4-Formyl-1,3-dimethyl-1,3(2H)-dihydroimidazole-2-thione
CID 593497
1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
CID 23026362
2-(dimethylamino)-1,3-dimethyl-2H-imidazole-4-carbaldehyde
CID 87448690
1,3-dimethyl-2-methylsulfanyl-2H-imidazole-4-carbaldehyde
CID 89187020
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931
(4-formyl-3-methyl-2H-imidazol-1-yl)thallium
CID 163887159
3-methyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82417973
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 83681681

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde (CID 142201674) is 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde is CN1C=C(C=O)N(C)C1=C=S.
What is the InChIKey of 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde?
The InChIKey is WWPRBQGQNQIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-8-3-6(4-10)9(2)7(8)5-11/h3-4H,1-2H3.
What are the key properties of 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde?
1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde has a molecular weight of 168.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(sulfanylidenemethylidene)imidazole-4-carbaldehyde is sourced from PubChem (CID 142201674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).