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101205-02-1,MFCD01741622
Catalog No.:AA0003VN
101205-02-1 | 2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-
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Technical Information
Catalog Number:
AA0003VN
Chemical Name:
2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-
CAS Number:
101205-02-1
Molecular Formula:
C17H27NO3S
Molecular Weight:
325.4662
MDL Number:
MFCD01741622
IUPAC Name:
2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+
InChI Key:
GGWHBJGBERXSLL-NBVRZTHBSA-N
SMILES:
CCON=C(C1=C(O)CC(CC1=O)C1CCCSC1)CCC
Properties
Computed Properties
 
Complexity:
459  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
325.171g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.467g/mol
Monoisotopic Mass:
325.171g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
cycloxydim 
focus ultra 
AC1L3MRD 
AC1Q6IRL 
Cycloxydime [ISO-French] 
SCHEMBL55851 
CHEBI:4033 
2-[1-(ethoxyimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one 
AKOS015898604 
Cycloxidim 100 microg/mL in Methanol 
Cycloxidim, PESTANAL(R), analytical standard 
C10913 
Cycloxydim 
I09-2042 
2-[1-(ethoxyamino)butylidene]-5-(thian-3-yl)cyclohexane-1,3-dione 
(+-)-2-(1-(Ethoxyimino)butyl)-3-hydroxy-5-thian-3-ylcyclohex-2-enone 
(5Xi)-2-[(1Xi)-N-ethoxybutanimidoyl]-3-hydroxy-5-[(3Xi)-thian-3-yl]cyclohex-2-en-1-one 
2-(1-(Ethoxyamino)butylidene)-5-(2H-tetrahydrothiopyran-3-yl)-1,3-cyclohexanedione 
2-(N-ethoxybutanimidoyl)-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one 
2-[1-(ethoxyamino)butylidene]-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-dione 
2-(1-(Ethoxyimino)butyl)-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexene-1-one (9CI) 
99434-58-9 
Focus 
Cycloxidim 
Cycloxydim [ISO] 
BAS 517H 
BAS 517 
BAS 51701H 
BAS 51704H 
CHEMBL113137 
BAS 517-02H 
KST-1A9443 
CID91765 
C17-H27-N-O3-S 
Cycloxydime 
AR-1B6745 
EC 405-230-9 
(+-)-2-(1-(Ethoxyimino)butyl)-3-hydroxy-5-thian-3-cyclohex-2-enone 
6328-05-8 
2-(1-(Ethoxyimino)butyl)-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one 
2-Cyclohexen-1-one, 2-(1-(ethoxyimino)butyl)-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)- 
2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)- 
2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]- 3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)- 
Focus Ultra 
101205-02-1 
1,3-Cyclohexanedione, 2-(1-(ethoxyamino)butylidene)-5-(tetrahydro-2H-thiopyran-3-yl)- 
2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one 
Cycloxydim [BSI:ISO] 
Literature
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