1,2-dihydropyridine-2-thiol

C5H7NS — CID 5257108

IUPAC1,2-dihydropyridine-2-thiol
SMILESSC1C=CC=CN1
InChIInChI=1S/C5H7NS/c7-5-3-1-2-4-6-5/h1-7H
InChIKeyRYFJNRAVXXXDMH-UHFFFAOYSA-N
MW113.18 g/mol
LogP0.92
Rot. Bonds

About 1,2-dihydropyridine-2-thiol

1,2-dihydropyridine-2-thiol (PubChem CID 5257108) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 1,2-dihydropyridine-2-thiol.

Molecular Properties

Compound Name1,2-dihydropyridine-2-thiol
PubChem CID5257108
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name1,2-dihydropyridine-2-thiol
SMILESSC1C=CC=CN1
InChIInChI=1S/C5H7NS/c7-5-3-1-2-4-6-5/h1-7H
InChIKeyRYFJNRAVXXXDMH-UHFFFAOYSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,2-dihydropyridine-2-thiol?
The IUPAC name of 1,2-dihydropyridine-2-thiol (CID 5257108) is 1,2-dihydropyridine-2-thiol.
What is the SMILES notation for 1,2-dihydropyridine-2-thiol?
The canonical SMILES for 1,2-dihydropyridine-2-thiol is SC1C=CC=CN1.
What is the InChIKey of 1,2-dihydropyridine-2-thiol?
The InChIKey is RYFJNRAVXXXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c7-5-3-1-2-4-6-5/h1-7H.
What are the key properties of 1,2-dihydropyridine-2-thiol?
1,2-dihydropyridine-2-thiol has a molecular weight of 113.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-2-thiol is sourced from PubChem (CID 5257108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).