3-Thiophenemalonic Acid

Product Information

Molecular Formula:

C7H6O4S

Molecular Weight:

186.19

Description

3-Thiophenemalonic Acid (CAS# 21080-92-2) is an intermediate used to synthesize temocillin. It is also used to prepare malonate-based inhibitors of mammalian serine racemase.

Synonyms

2-(3-thiophenyl)propanedioic acid; 2-thiophen-3-ylpropanedioic acid

IUPAC Name

2-thiophen-3-ylpropanedioic acid

Canonical SMILES

C1=CSC=C1C(C(=O)O)C(=O)O

InChI

InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)

InChI Key

GCOOGCQWQFRJEK-UHFFFAOYSA-N

Melting Point

139 ℃ (dec.) (lit.)

Flash Point

Not applicable

Purity

97 %

Appearance

Off-white to beige powder or chunks

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3-Thiophenemalonic Acid

Product Information

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