2,3-dihydropyridine-5-thiol

C5H7NS — CID 88967075

IUPAC2,3-dihydropyridine-5-thiol
SMILESSC1=CCCN=C1
InChIInChI=1S/C5H7NS/c7-5-2-1-3-6-4-5/h2,4,7H,1,3H2
InChIKeyLGAZATCBLABIGC-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.27
Rot. Bonds

About 2,3-dihydropyridine-5-thiol

2,3-dihydropyridine-5-thiol (PubChem CID 88967075) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2,3-dihydropyridine-5-thiol.

Molecular Properties

Compound Name2,3-dihydropyridine-5-thiol
PubChem CID88967075
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name2,3-dihydropyridine-5-thiol
SMILESSC1=CCCN=C1
InChIInChI=1S/C5H7NS/c7-5-2-1-3-6-4-5/h2,4,7H,1,3H2
InChIKeyLGAZATCBLABIGC-UHFFFAOYSA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
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 2,3-dihydropyridine-5-thiol?
The IUPAC name of 2,3-dihydropyridine-5-thiol (CID 88967075) is 2,3-dihydropyridine-5-thiol.
What is the SMILES notation for 2,3-dihydropyridine-5-thiol?
The canonical SMILES for 2,3-dihydropyridine-5-thiol is SC1=CCCN=C1.
What is the InChIKey of 2,3-dihydropyridine-5-thiol?
The InChIKey is LGAZATCBLABIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c7-5-2-1-3-6-4-5/h2,4,7H,1,3H2.
What are the key properties of 2,3-dihydropyridine-5-thiol?
2,3-dihydropyridine-5-thiol has a molecular weight of 113.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-5-thiol is sourced from PubChem (CID 88967075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).