3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione

C18H15NOS — CID 15644880

IUPAC3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc[nH]c1=S
InChIInChI=1S/C18H15NOS/c20-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-12-7-13-19-17(16)21/h1-13,20H,(H,19,21)
InChIKeyQUTLCNIDJUBHFC-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.03
Rot. Bonds3

About 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione

3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione (PubChem CID 15644880) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione
PubChem CID15644880
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc[nH]c1=S
InChIInChI=1S/C18H15NOS/c20-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-12-7-13-19-17(16)21/h1-13,20H,(H,19,21)
InChIKeyQUTLCNIDJUBHFC-UHFFFAOYSA-N
XLogP4.03
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione?
The IUPAC name of 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione (CID 15644880) is 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione.
What is the SMILES notation for 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione?
The canonical SMILES for 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione is OC(c1ccccc1)(c1ccccc1)c1ccc[nH]c1=S.
What is the InChIKey of 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione?
The InChIKey is QUTLCNIDJUBHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-12-7-13-19-17(16)21/h1-13,20H,(H,19,21).
What are the key properties of 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione?
3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione has a molecular weight of 293.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione is sourced from PubChem (CID 15644880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).