2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacycl… 147597-66-8

Name: 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%
Brand: Vaqora Chemicals
SKU: VQ-000307

About 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%

2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid (CAS 147597-66-8) is an indicator offered by Vaqora Chemicals with a typical assay of ≥94%. The compound has the formula C20H24N4O6S, corresponding to a molecular weight of 448.5 g/mol. Common synonyms include p-SCN-Bn-NOTA and 2-(4-Ncs-Bz)-nota.

Store in a tightly closed container in a cool, dry and well-ventilated place. Handle it with standard laboratory precautions and appropriate personal protective equipment.

It is commonly used for titration end-point detection, pH determination and analytical testing. Our customers for this product work in academic and industrial research.

Available in 50 mg and 1 g packs, 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid is dispatched with a Certificate of Analysis (COA) to destinations worldwide. SDS and detailed specification sheets can be requested with your quotation. Larger quantities and custom packaging are available. Request a quote for pricing and lead time.

Typical applications

Titration end-point detection
pH determination
Analytical testing

Industries

Specifications & identifiers

Chemical identifiers
Product name	2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%
Catalogue No.	VQ-000307
CAS Number	147597-66-8
IUPAC name	2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid
Molecular formula	C₂₀H₂₄N₄O₆S
Molecular weight	448.5 g/mol
Exact mass	448.1417
Purity / assay	≥94%
HSN code	29420090
InChIKey	JDNCFHZWJCDPHS-FPLPWBNLSA-N
SMILES	C1CN(/C=C\N(C(CN1CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O
PubChem CID	3036142

Physical properties
Physical form	Other
LogP (XLogP3)	0.5
H-bond donors / acceptors	3 / 11
TPSA	166 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 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%?

The CAS Registry Number of 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% is 147597-66-8. It is also known as p-SCN-Bn-NOTA, 2-(4-Ncs-Bz)-nota, 2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid.

What is the molecular formula and molecular weight of 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%?

2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% has the molecular formula C20H24N4O6S and a molecular weight of 448.5 g/mol. Its IUPAC name is 2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid.

Which grade and pack sizes of 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% can I order?

We supply 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% in (≥94%) grade, in 50 mg, 1 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%?

Yes. Every lot of 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% 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 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% be shipped internationally?

Yes. We export 2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94% worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.