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Home Other Building Blocks 2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one

2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one

CAS No.:
99129-21-2
Catalog Number:
AG0039T2
Molecular Formula:
C17H26ClNO3S
Molecular Weight:
359.9112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$155
- +
5g
In Stock USA
United States
$433
- +
Product Description
Catalog Number:
AG0039T2
Chemical Name:
2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one
CAS Number:
99129-21-2
Molecular Formula:
C17H26ClNO3S
Molecular Weight:
359.9112
MDL Number:
MFCD01632327
IUPAC Name:
2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+
InChI Key:
SILSDTWXNBZOGF-KUZBFYBWSA-N
SMILES:
Cl/C=C/CON=C(C1=C(O)CC(CC1=O)CC(SCC)C)CC
EC Number:
619-396-7
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
359.132g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
359.909g/mol
Monoisotopic Mass:
359.132g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties