5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde

C7H7NOS — CID 102544980

IUPAC5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde
SMILESCc1cc(C=O)c[nH]c1=S
InChIInChI=1S/C7H7NOS/c1-5-2-6(4-9)3-8-7(5)10/h2-4H,1H3,(H,8,10)
InChIKeyAIJMPHHSTKLRNR-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.87
Rot. Bonds1

About 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde

5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde (PubChem CID 102544980) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde
PubChem CID102544980
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde
SMILESCc1cc(C=O)c[nH]c1=S
InChIInChI=1S/C7H7NOS/c1-5-2-6(4-9)3-8-7(5)10/h2-4H,1H3,(H,8,10)
InChIKeyAIJMPHHSTKLRNR-UHFFFAOYSA-N
XLogP1.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde (CID 102544980) is 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde is Cc1cc(C=O)c[nH]c1=S.
What is the InChIKey of 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde?
The InChIKey is AIJMPHHSTKLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-5-2-6(4-9)3-8-7(5)10/h2-4H,1H3,(H,8,10).
What are the key properties of 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde?
5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde has a molecular weight of 153.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-sulfanylidene-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 102544980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).