6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde

C15H15NOS — CID 80639523

IUPAC6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
SMILESCC(C)c1ccc(Sc2ccc(C=O)cn2)cc1
InChIInChI=1S/C15H15NOS/c1-11(2)13-4-6-14(7-5-13)18-15-8-3-12(10-17)9-16-15/h3-11H,1-2H3
InChIKeyMQBLVWJDSFTAIS-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.17
Rot. Bonds4

About 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde

6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde (PubChem CID 80639523) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
PubChem CID80639523
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
SMILESCC(C)c1ccc(Sc2ccc(C=O)cn2)cc1
InChIInChI=1S/C15H15NOS/c1-11(2)13-4-6-14(7-5-13)18-15-8-3-12(10-17)9-16-15/h3-11H,1-2H3
InChIKeyMQBLVWJDSFTAIS-UHFFFAOYSA-N
XLogP4.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-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

N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
4-propan-2-ylbenzaldehyde
CID 326
6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde
CID 80640673
6-(4-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80632252
6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
CID 80639451
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
CID 80639652
4-pyrimidin-4-ylsulfanylbenzaldehyde
CID 63802248
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
CID 80631934
1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119488
N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde
CID 157133896

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde (CID 80639523) is 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde is CC(C)c1ccc(Sc2ccc(C=O)cn2)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde?
The InChIKey is MQBLVWJDSFTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11(2)13-4-6-14(7-5-13)18-15-8-3-12(10-17)9-16-15/h3-11H,1-2H3.
What are the key properties of 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde?
6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde has a molecular weight of 257.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 80639523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).