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Thiofanox Sulfone

CAT: 0572-TRC-T344633-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344633-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39184-59-3
Hazard Statement
No Data Available
Smiles
CNC(=O)ON=C(CS(=O)(=O)C)C(C)(C)C
Molecular Formula
C9 H18 N2 O4 S
Molecular Weight
250.32
InChI
InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)
Additionnal Information
IUPAC name: [(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate
Shipping Conditions
Room Temperature

Chemical Information

2-Butanone, 3,3-dimethyl-1-(methylsulfonyl)-, O-((methylamino)carbonyl)oxime
CAS Number39184-59-3
PubChem CID5491760
IUPAC Name[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate
Molecular FormulaC9H18N2O4S
Molecular Weight250.32
XLogP0.9
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity373
SMILES
CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)(=O)C
InChI
InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
InChIKey
PZOIECHFNQBYRT-YRNVUSSQSA-N
Chemical Structure
2D Structure
2D structure of 2-Butanone, 3,3-dimethyl-1-(methylsulfonyl)-, O-((methylamino)carbonyl)oxime
CAS: 39184-59-3
CID: 5491760
Formula: C9H18N2O4S
MW: 250.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.32
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass250.09872823
Monoisotopic Mass250.09872823
Topological Polar Surface Area93.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity373
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

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