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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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