6-methoxy-1,2-dihydropyridine-3-thiol

C6H9NOS — CID 134260506

IUPAC6-methoxy-1,2-dihydropyridine-3-thiol
SMILESCOC1=CC=C(S)CN1
InChIInChI=1S/C6H9NOS/c1-8-6-3-2-5(9)4-7-6/h2-3,7,9H,4H2,1H3
InChIKeyFARVWADSFUFJNY-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.89
Rot. Bonds1

About 6-methoxy-1,2-dihydropyridine-3-thiol

6-methoxy-1,2-dihydropyridine-3-thiol (PubChem CID 134260506) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 6-methoxy-1,2-dihydropyridine-3-thiol.

Molecular Properties

Compound Name6-methoxy-1,2-dihydropyridine-3-thiol
PubChem CID134260506
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name6-methoxy-1,2-dihydropyridine-3-thiol
SMILESCOC1=CC=C(S)CN1
InChIInChI=1S/C6H9NOS/c1-8-6-3-2-5(9)4-7-6/h2-3,7,9H,4H2,1H3
InChIKeyFARVWADSFUFJNY-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2-dihydropyridine-3-thiol?
The IUPAC name of 6-methoxy-1,2-dihydropyridine-3-thiol (CID 134260506) is 6-methoxy-1,2-dihydropyridine-3-thiol.
What is the SMILES notation for 6-methoxy-1,2-dihydropyridine-3-thiol?
The canonical SMILES for 6-methoxy-1,2-dihydropyridine-3-thiol is COC1=CC=C(S)CN1.
What is the InChIKey of 6-methoxy-1,2-dihydropyridine-3-thiol?
The InChIKey is FARVWADSFUFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-8-6-3-2-5(9)4-7-6/h2-3,7,9H,4H2,1H3.
What are the key properties of 6-methoxy-1,2-dihydropyridine-3-thiol?
6-methoxy-1,2-dihydropyridine-3-thiol has a molecular weight of 143.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2-dihydropyridine-3-thiol is sourced from PubChem (CID 134260506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).