Methyl 2-isothiocyanato-3-thiophenecarboxylate CAS 126637-07-8

Purity 97%+In StockPharmaceutical Standards
CAS No.126637-07-8
Molecular FormulaC7H5NO2S2
Molecular Weight199.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 2-isothiocyanato-3-thiophenecarboxylate CAS 126637-07-8 chemical structure

Description

The occurrence of Methyl 2-isothiocyanato-3-thiophenecarboxylate is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl 2-isothiocyanato-3-thiophenecarboxylate (CAS 126637-07-8) is a high-purity analytical reference standard with the molecular formula C7H5NO2S2 and a molecular weight of 199.25 g/mol.

Structurally, Methyl 2-isothiocyanato-3-thiophenecarboxylate (C7H5NO2S2) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 199.25 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures Methyl 2-isothiocyanato-3-thiophenecarboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC7H5NO2S2
Molecular Weight199.25 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993
Nitrogen Atoms1
Sulfur Atoms2

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