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Flutianil

CAT: 0926-INB64710-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-INB64710-02Size:25 mg
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CAS Number
958647-10-4
MDL Number
MFCD28009633
Smiles
COC1=CC=CC=C1N2CCSC2=C (C#N) SC3=C (C=CC (=C3) C (F) (F) F) F
Molecular Formula
C19H14F4N2OS2
Molecular Weight
426.5 g/mol
Controlled
No

Chemical Information

Flutianil

Flutianil is a member of the class of thiazolidines that is N-(o-methoxyphenyl)thiazolidine which is substituted at position 2 by a methylene group, the hydrogens of which are replaced by cyano and [2-fluoro-5-(trifluoromethyl)phenyl]sulfanediyl groups; the double bond conjugated to the cyano group has Z configuration. A fungicide intended for use on horticultural crops including strawberries and grapevines. It has a role as an antifungal agrochemical. It is a nitrile, an aromatic ether, a member of thiazolidines, an aryl sulfide, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

CAS Number958647-10-4
PubChem CID44151818
IUPAC Name(2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
Molecular FormulaC19H14F4N2OS2
Molecular Weight426.5
XLogP5.6
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity633
SMILES
COC1=CC=CC=C1N\2CCS/C2=C(/C#N)\SC3=C(C=CC(=C3)C(F)(F)F)F
InChI
InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17-
InChIKey
KGXUEPOHGFWQKF-ZCXUNETKSA-N
Chemical Structure
2D Structure
2D structure of Flutianil
CAS: 958647-10-4
CID: 44151818
Formula: C19H14F4N2OS2
MW: 426.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass426.04836807
Monoisotopic Mass426.04836807
Topological Polar Surface Area86.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-T-54981Flutianil
164226Flutianil-d4
HY-126724RFlutianil (Standard)

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