BRN 5162791

1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(4-methylphenyl)adamantane

CAS: 117101-76-5

Molecular Formula	`C20H28N2O3S2`
Molecular Weight	408.6 g/mol
LogP	3.4
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	408.15414
Heavy Atoms	27
Complexity	679.0

Chemical Identifiers

CAS Number	117101-76-5
SMILES	`CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N`
InChIKey	`WQKYMCOBOFMBMK-UHFFFAOYSA-N`

📖 Product Overview

BRN 5162791 (CAS: 117101-76-5) is a chemical compound with molecular formula C20H28N2O3S2 and molecular weight 408.6 g/mol. Its IUPAC systematic name is 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(4-methylphenyl)adamantane. LogP 3.4 Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 408.15414 Heavy Atoms 27 Complexity 679.0 InChI Key: WQKYMCOBOFMBMK-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=C(CSS(=O)(=O)O)N.

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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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