2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid

CAS: 2566-86-1

Molecular Formula	`C34H49N3O5S2`
Molecular Weight	643.9 g/mol
LogP	10.3
Topological Polar Surface Area	150.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	22
Exact Mass	643.31134
Heavy Atoms	44
Complexity	984.0

Chemical Identifiers

CAS Number	2566-86-1
SMILES	`CCCCCCCCCCCCCCCCCCSC1=CC=CC=C1N2C(=O)CC(=N2)NC(=O)C3=CC=CC=C3S(=O)(=O)O`
InChIKey	`XRURHQQYUBFGFD-UHFFFAOYSA-N`

📖 Product Overview

2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid (CAS: 2566-86-1) is a chemical compound with molecular formula C34H49N3O5S2 and molecular weight 643.9 g/mol. Its IUPAC systematic name is 2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid. LogP 10.3 Topological Polar Surface Area 150.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 22 Exact Mass 643.31134 Heavy Atoms 44 Complexity 984.0 InChI Key: XRURHQQYUBFGFD-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCCCCCCCSC1=CC=CC=C1N2C(=O)CC(=N2)NC(=O)C3=CC=CC=C3S(=O)(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid.

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