AC1NZHKL structure

AC1NZHKL

2-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Also Known As: rhodanine derivative, 29|((5Z)-4-OXO-5-{[1-PHENYL-3-(2-THIENYL)-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ACETIC ACID|2-(4-Oxo-5-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-3-yl)acetic acid|2-[(5Z)-4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid|((5Z)-4-OXO-5-((1-PHENYL-3-(2-THIENYL)-1H-PYRAZOL-4-YL)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ACETIC ACID|[(5Z)-4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|2-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid|645-946-0

CAS: 623934-95-2
Molecular Formula C19H13N3O3S3
Molecular Weight 427.0119 g/mol
LogP 3.8866
Topological Polar Surface Area 75.43 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 427.0119
Monoisotopic Mass 427.0119
Heavy Atoms 28
Complexity 1088.3391

Chemical Identifiers

CAS Number 623934-95-2
SMILES C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C\4/C(=O)N(C(=S)S4)CC(=O)O

Product Overview

AC1NZHKL (CAS 623934-95-2), with molecular formula C19H13N3O3S3 and molecular weight 427.0119 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.

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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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