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120067-83-6

120067-83-6 structural image
Product Name: FIPRONIL-SULFIDE
Formula: C12H4Cl2F6N4S
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COMPUTED DESCRIPTORS

Molecular Weight 421.1 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 2
Exact Mass 419.9437917 g/mol
Monoisotopic Mass 419.9437917 g/mol
Topological Polar Surface Area 92.9 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 526
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fipronil-sulfide is a member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfanyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil. It has a role as a marine xenobiotic metabolite. It is a member of pyrazoles, a dichlorobenzene, a member of (trifluoromethyl)benzenes, an organic sulfide and a nitrile.