AC1LQ9XY structure

AC1LQ9XY

3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[3,2-d]pyrazole-5-carboxamide

Also Known As: VU0611685-1|SR-01000254431-1|F3345-0722|3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbonyl}-1-[(pyridin-3-yl)methyl]thiourea|3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-c]pyrazole-5-carboxamide|3-methyl-1-phenyl-N-((pyridin-3-ylmethyl)carbamothioyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

CAS: 690702-50-2
Molecular Formula C20H17N5OS2
Molecular Weight 407.08746 g/mol
LogP 3.59492
Topological Polar Surface Area 71.84 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 407.08746
Monoisotopic Mass 407.08746
Heavy Atoms 28
Complexity 1135.5948

Chemical Identifiers

CAS Number 690702-50-2
SMILES CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)C4=CC=CC=C4

Product Overview

AC1LQ9XY (CAS 690702-50-2), with molecular formula C20H17N5OS2 and molecular weight 407.08746 g/mol. IUPAC: 3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[3,2-d]pyrazole-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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