C 5458

2-[2-(2-chloro-6-methylanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride

CAS: 100620-36-8

Molecular Formula	`C13H20Cl2N2OS`
Molecular Weight	323.3 g/mol
Topological Polar Surface Area	58.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	322.06735
Heavy Atoms	19
Complexity	263.0

Chemical Identifiers

CAS Number	100620-36-8
SMILES	`CC1=C(C(=CC=C1)Cl)NC(=O)CSCC[NH+](C)C.[Cl-]`
InChIKey	`SUKKDJCCWYAAKN-UHFFFAOYSA-N`

📖 Product Overview

C 5458 (CAS: 100620-36-8) is a chemical compound with molecular formula C13H20Cl2N2OS and molecular weight 323.3 g/mol. Its IUPAC systematic name is 2-[2-(2-chloro-6-methylanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride. Topological Polar Surface Area 58.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 322.06735 Heavy Atoms 19 Complexity 263.0 InChI Key: SUKKDJCCWYAAKN-UHFFFAOYSA-N. SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)CSCC[NH+](C)C.[Cl-].

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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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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

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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