2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde

C14H13NOS — CID 102926074

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
SMILESCc1cc(C)nc(Sc2ccccc2C=O)c1
InChIInChI=1S/C14H13NOS/c1-10-7-11(2)15-14(8-10)17-13-6-4-3-5-12(13)9-16/h3-9H,1-2H3
InChIKeyKTGNQXCFKVIIQX-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.66
Rot. Bonds3

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde (PubChem CID 102926074) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
PubChem CID102926074
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
SMILESCc1cc(C)nc(Sc2ccccc2C=O)c1
InChIInChI=1S/C14H13NOS/c1-10-7-11(2)15-14(8-10)17-13-6-4-3-5-12(13)9-16/h3-9H,1-2H3
InChIKeyKTGNQXCFKVIIQX-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde 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

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
N-[[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926107
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methylsulfanylphenyl]methanamine
CID 102925284
2-(2,5-dimethylpyrazol-3-yl)sulfanylbenzaldehyde
CID 63803227
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde
CID 102926059
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069
1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
CID 102925158
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
3-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102925985
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 102927043
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102924507

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde (CID 102926074) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde is Cc1cc(C)nc(Sc2ccccc2C=O)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde?
The InChIKey is KTGNQXCFKVIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-10-7-11(2)15-14(8-10)17-13-6-4-3-5-12(13)9-16/h3-9H,1-2H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde has a molecular weight of 243.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde is sourced from PubChem (CID 102926074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).