5-Isothiazolecarboxamide structure

5-Isothiazolecarboxamide

1,2-thiazole-5-carboxamide

Also Known As: 5-Isothiazolecarboxamide|1,2-thiazole-5-carboxamide|isothiazole-5-carboxamide|5-carboxamidoisothiazole|isothiazole-5-carboxylic acid amide

CAS: 3683-98-5
Molecular Formula C4H4N2OS
Molecular Weight 128.00444 g/mol
LogP 0.2
Topological Polar Surface Area 84.2 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 1
Exact Mass 128.00444
Monoisotopic Mass 128.00444
Heavy Atoms 8
Complexity 106.0

Chemical Identifiers

CAS Number 3683-98-5
SMILES C1=C(SN=C1)C(=O)N
InChIKey RNSKZDUUNLMFJL-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (22 patents) Heterocyclic Building Blocks (57 patents) Organic Building Blocks (1 patents) Organometallic Reagents (3 patents) Pharmaceutical Intermediates (2 patents)

Product Overview

5-Isothiazolecarboxamide (CAS 3683-98-5), with molecular formula C4H4N2OS and molecular weight 128.00444 g/mol. IUPAC: 1,2-thiazole-5-carboxamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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