AC1NE6XR structure

AC1NE6XR

N-(3-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: 2-({4-allyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide|2-((4-Allyl-5-((phenylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide|2-((4-ALLYL-5-((PHENYLSULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE|644-850-6|N-(3-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(3-methylphenyl)-2-[5-(phenylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthi o)]acetamide

CAS: 538337-39-2
Molecular Formula C21H22N4OS2
Molecular Weight 410.1235 g/mol
LogP 4.79562
Topological Polar Surface Area 59.81 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 9
Exact Mass 410.1235
Monoisotopic Mass 410.1235
Heavy Atoms 28
Complexity 940.58844

Chemical Identifiers

CAS Number 538337-39-2
SMILES CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=CC=CC=C3

Product Overview

AC1NE6XR (CAS 538337-39-2), with molecular formula C21H22N4OS2 and molecular weight 410.1235 g/mol. IUPAC: N-(3-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

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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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