S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cy… 1698876-57-1

Name: S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate
Brand: Vaqora Chemicals
SKU: VQ-031841

About S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate

Vaqora Chemicals supplies S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate, an impurity of Methylene Blue registered under CAS number 1698876-57-1. The compound has the formula C16H19N3O3S2, corresponding to a molecular weight of 365.5 g/mol. Its systematic (IUPAC) name is 4-(dimethylamino)-1-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)amino]-2-sulfonatosulfanylbenzene.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

Pharmaceutical QC and development laboratories use this impurity standard of Methylene Blue to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. It is used across pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Methylene Blue

View every impurity, metabolite and intermediate we list for Methylene Blue.

Methylene Blue impurities

Specifications & identifiers

Chemical identifiers
Product name	S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate
Catalogue No.	VQ-031841
CAS Number	1698876-57-1
IUPAC name	4-(dimethylamino)-1-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)amino]-2-sulfonatosulfanylbenzene
Molecular formula	C₁₆H₁₉N₃O₃S₂
Molecular weight	365.5 g/mol
Exact mass	365.0868
Grade	Reference Standard
HSN code	38229090
InChIKey	BTXHKXWUYDACFT-UHFFFAOYSA-N
SMILES	CN(C)C1=CC(=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2)SS(=O)(=O)[O-]
PubChem CID	59343274

Physical properties
Physical form	Solid
LogP (XLogP3)	1.2
H-bond donors / acceptors	0 / 6
TPSA	109 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate?

The CAS Registry Number of S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate is 1698876-57-1.

What is the molecular formula and molecular weight of S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate?

S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate has the molecular formula C16H19N3O3S2 and a molecular weight of 365.5 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)amino]-2-sulfonatosulfanylbenzene.

What is S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate used for?

S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate is supplied as a characterised reference material related to Methylene Blue. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate can I order?

We supply S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate?

Yes. Every lot of S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate be shipped internationally?

Yes. We export S-(5-(Dimethylamino)-2-((4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)amino)phenyl)sulfothioate worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.