AC1LQW1K structure

AC1LQW1K

3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Also Known As: 4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione|95% +(stabilized with TBC)|5-[(2-Amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol|L-2871|F1722-0002|3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione|5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-2H-1,2,4-triazole-3-thione|4-allyl-3-[(2-aminothiazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione|3-[(2-amino(1,3-thiazol-4-yl))methyl]-4-prop-2-enyl-1,2,4-triazoline-5-thione|4-[(4-allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-ylamine|5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

CAS: 690643-10-8
Molecular Formula C9H11N5S2
Molecular Weight 253.0456 g/mol
LogP 1.75619
Topological Polar Surface Area 72.52 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 253.0456
Monoisotopic Mass 253.0456
Heavy Atoms 16
Complexity 550.2455

Chemical Identifiers

CAS Number 690643-10-8
SMILES C=CCN1C(=NNC1=S)CC2=CSC(=N2)N

Product Overview

AC1LQW1K (CAS 690643-10-8), with molecular formula C9H11N5S2 and molecular weight 253.0456 g/mol. IUPAC: 3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.

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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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