1-phenyl-2,3-dihydropyridine-6-thione

C11H11NS — CID 101486560

IUPAC1-phenyl-2,3-dihydropyridine-6-thione
SMILESS=C1C=CCCN1c1ccccc1
InChIInChI=1S/C11H11NS/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2
InChIKeyCDTVQSZMBLZRKC-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.78
Rot. Bonds1

About 1-phenyl-2,3-dihydropyridine-6-thione

1-phenyl-2,3-dihydropyridine-6-thione (PubChem CID 101486560) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-phenyl-2,3-dihydropyridine-6-thione.

Molecular Properties

Compound Name1-phenyl-2,3-dihydropyridine-6-thione
PubChem CID101486560
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name1-phenyl-2,3-dihydropyridine-6-thione
SMILESS=C1C=CCCN1c1ccccc1
InChIInChI=1S/C11H11NS/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2
InChIKeyCDTVQSZMBLZRKC-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3-dihydropyridine-6-thione?
The IUPAC name of 1-phenyl-2,3-dihydropyridine-6-thione (CID 101486560) is 1-phenyl-2,3-dihydropyridine-6-thione.
What is the SMILES notation for 1-phenyl-2,3-dihydropyridine-6-thione?
The canonical SMILES for 1-phenyl-2,3-dihydropyridine-6-thione is S=C1C=CCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-2,3-dihydropyridine-6-thione?
The InChIKey is CDTVQSZMBLZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2.
What are the key properties of 1-phenyl-2,3-dihydropyridine-6-thione?
1-phenyl-2,3-dihydropyridine-6-thione has a molecular weight of 189.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3-dihydropyridine-6-thione is sourced from PubChem (CID 101486560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).