2-phenyl-2,3-dihydro-1H-pyridine-6-thione

C11H11NS — CID 121219565

IUPAC2-phenyl-2,3-dihydro-1H-pyridine-6-thione
SMILESS=C1C=CCC(c2ccccc2)N1
InChIInChI=1S/C11H11NS/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-6,8,10H,7H2,(H,12,13)
InChIKeyGWTGQBYKYBWPHK-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.60
Rot. Bonds1

About 2-phenyl-2,3-dihydro-1H-pyridine-6-thione

2-phenyl-2,3-dihydro-1H-pyridine-6-thione (PubChem CID 121219565) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydro-1H-pyridine-6-thione.

Molecular Properties

Compound Name2-phenyl-2,3-dihydro-1H-pyridine-6-thione
PubChem CID121219565
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name2-phenyl-2,3-dihydro-1H-pyridine-6-thione
SMILESS=C1C=CCC(c2ccccc2)N1
InChIInChI=1S/C11H11NS/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-6,8,10H,7H2,(H,12,13)
InChIKeyGWTGQBYKYBWPHK-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2,3-dihydro-1H-pyridin-6-one
CID 10035072
(3S,7R,9Z,12R)-3,7,12-triphenyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759600
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
benzene;cyclopropylbenzene
CID 144638417
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
ethane;(2S)-2-phenylaziridine
CID 145185749
4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
CID 45056811
6-phenylpiperidine-2-carbothialdehyde
CID 174443959
carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702
(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
CID 99646622
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3-dihydro-1H-pyridine-6-thione?
The IUPAC name of 2-phenyl-2,3-dihydro-1H-pyridine-6-thione (CID 121219565) is 2-phenyl-2,3-dihydro-1H-pyridine-6-thione.
What is the SMILES notation for 2-phenyl-2,3-dihydro-1H-pyridine-6-thione?
The canonical SMILES for 2-phenyl-2,3-dihydro-1H-pyridine-6-thione is S=C1C=CCC(c2ccccc2)N1.
What is the InChIKey of 2-phenyl-2,3-dihydro-1H-pyridine-6-thione?
The InChIKey is GWTGQBYKYBWPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-6,8,10H,7H2,(H,12,13).
What are the key properties of 2-phenyl-2,3-dihydro-1H-pyridine-6-thione?
2-phenyl-2,3-dihydro-1H-pyridine-6-thione has a molecular weight of 189.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydro-1H-pyridine-6-thione is sourced from PubChem (CID 121219565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).