2-Hydroxymethyl-3-triphenylmethylthiopyridine

HCID 9908047

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1ncccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: MEAPLJSPMZRBNH-UHFFFAOYSA-N
Molecular formula: C25H21NOS
Average molar mass: 383.5 g/mol

Names & identifiers

Preferred name: 2-Hydroxymethyl-3-triphenylmethylthiopyridine
IUPAC: (3-tritylsulfanyl-2-pyridinyl)methanol

Names & synonyms

SCHEMBL6238584MEAPLJSPMZRBNH-UHFFFAOYSA-N2-hydroxymethyl-3-triphenylmethylthiopyridine3-Triphenylmethylthio-2-hydroxymethylpyridine

Database identifiers

PubChem CID: 9908047

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 406

Related reactions

5 records

New reaction record

HRID 187313 reaction equation

HRID 187313As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1540895 reaction equation

HRID 1540895As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2085989 reaction equation

HRID 2085989As productuspto-grants-2004_04

HRID 2085990 reaction equation

HRID 2085990As reactantuspto-grants-2004_04

HRID 2085992 reaction equation

HRID 2085992As reactantuspto-grants-2004_04

Compound notes

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