2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde

C15H15NOS — CID 126470647

IUPAC2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde
SMILESCC(C)Sc1ccc(-c2ccccc2C=O)cn1
InChIInChI=1S/C15H15NOS/c1-11(2)18-15-8-7-12(9-16-15)14-6-4-3-5-13(14)10-17/h3-11H,1-2H3
InChIKeyUZSCDIRNWQFEOU-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.06
Rot. Bonds4

About 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde

2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde (PubChem CID 126470647) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde
PubChem CID126470647
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde
SMILESCC(C)Sc1ccc(-c2ccccc2C=O)cn1
InChIInChI=1S/C15H15NOS/c1-11(2)18-15-8-7-12(9-16-15)14-6-4-3-5-13(14)10-17/h3-11H,1-2H3
InChIKeyUZSCDIRNWQFEOU-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde?
The IUPAC name of 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde (CID 126470647) is 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde is CC(C)Sc1ccc(-c2ccccc2C=O)cn1.
What is the InChIKey of 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde?
The InChIKey is UZSCDIRNWQFEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11(2)18-15-8-7-12(9-16-15)14-6-4-3-5-13(14)10-17/h3-11H,1-2H3.
What are the key properties of 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde?
2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde has a molecular weight of 257.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-ylsulfanyl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 126470647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).