1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione

C19H17NOS — CID 13409588

IUPAC1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione
SMILESOCCn1c(-c2ccccc2)cc(-c2ccccc2)cc1=S
InChIInChI=1S/C19H17NOS/c21-12-11-20-18(16-9-5-2-6-10-16)13-17(14-19(20)22)15-7-3-1-4-8-15/h1-10,13-14,21H,11-12H2
InChIKeyHPBGDPXCSVXJCR-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.54
Rot. Bonds4

About 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione

1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione (PubChem CID 13409588) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione
PubChem CID13409588
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione
SMILESOCCn1c(-c2ccccc2)cc(-c2ccccc2)cc1=S
InChIInChI=1S/C19H17NOS/c21-12-11-20-18(16-9-5-2-6-10-16)13-17(14-19(20)22)15-7-3-1-4-8-15/h1-10,13-14,21H,11-12H2
InChIKeyHPBGDPXCSVXJCR-UHFFFAOYSA-N
XLogP4.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione?
The IUPAC name of 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione (CID 13409588) is 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione.
What is the SMILES notation for 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione?
The canonical SMILES for 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione is OCCn1c(-c2ccccc2)cc(-c2ccccc2)cc1=S.
What is the InChIKey of 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione?
The InChIKey is HPBGDPXCSVXJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c21-12-11-20-18(16-9-5-2-6-10-16)13-17(14-19(20)22)15-7-3-1-4-8-15/h1-10,13-14,21H,11-12H2.
What are the key properties of 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione?
1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione has a molecular weight of 307.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione is sourced from PubChem (CID 13409588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).