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Thiofanox

CAT: 0572-TRC-T344608-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344608-1GSize:1 g
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CAS Number
39196-18-4
Synonyms
3,3-Dimethyl-1-(methylthio)-2-butanone O-(methylcarbamoyl)oxime; DS 15647; Dacamox; Thiofanox; 2-Butanone, 3,3-dimethyl-1-(methylthio)-, O-[(methylamino)carbonyl]oxime
Hazard Statement
Fatal if swallowed; UN number: UN2757; Packing Group: I
Smiles
CNC(=O)ON=C(CSC)C(C)(C)C
Molecular Formula
C9 H18 N2 O2 S
Molecular Weight
218.32
InChI
InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)
Additionnal Information
IUPAC name: [(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate
Shipping Conditions
Room Temperature

Chemical Information

Thiofanox

Thiofanox is a colorless solid with a pungent odor. Used as a systemic insecticide and acaricide. (EPA, 1998)

CAS Number39196-18-4
PubChem CID38235
IUPAC Name[(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate
Molecular FormulaC9H18N2O2S
Molecular Weight218.32
XLogP2.2
Topological Polar Surface Area76
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity221
SMILES
CC(C)(C)C(=NOC(=O)NC)CSC
InChI
InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)
InChIKey
FZSVSABTBYGOQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiofanox
CAS: 39196-18-4
CID: 38235
Formula: C9H18N2O2S
MW: 218.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.32
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass218.10889899
Monoisotopic Mass218.10889899
Topological Polar Surface Area76 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
467531-01Thiofanox
467532-01Thiofanox Sulfoxide
S-3492Thiofanox - 1ML
467533-01Thiofanox Sulfoxide-d3

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