AC1OBMLF structure

AC1OBMLF

3-(3-methoxyphenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Also Known As: 3-(3-methoxyphenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione|5-(3-methoxyphenyl)-4-((E)-((E)-3-(2-nitrophenyl)allylidene)amino)-4H-1,2,4-triazole-3-thiol|5-(3-methoxyphenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(3-methoxyphenyl)-4-{[(E,2E)-3-(2-nitrophenyl)-2-propenylidene]amino}-4H-1,2,4-triazole-3-thiol

CAS: 613249-31-3
Molecular Formula C18H15N5O3S
Molecular Weight 381.08957 g/mol
LogP 4.07179
Topological Polar Surface Area 98.34 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 381.08957
Monoisotopic Mass 381.08957
Heavy Atoms 27
Complexity 1084.3512

Chemical Identifiers

CAS Number 613249-31-3
SMILES COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-]

Product Overview

AC1OBMLF (CAS 613249-31-3), with molecular formula C18H15N5O3S and molecular weight 381.08957 g/mol. IUPAC: 3-(3-methoxyphenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-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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