Home Other Building Blocks 1-THIEN-2-YLPENTAN-1-ONE

1-THIEN-2-YLPENTAN-1-ONE

CAS No.:
53119-25-8
Catalog Number:
AG003ENV
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
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Product Description
Catalog Number:
AG003ENV
Chemical Name:
1-THIEN-2-YLPENTAN-1-ONE
CAS Number:
53119-25-8
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD00053149
IUPAC Name:
1-thiophen-2-ylpentan-1-one
InChI:
InChI=1S/C9H12OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
InChI Key:
KJMPRCVRMAHTBR-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cccs1
UNII:
X71Z1K8RAY
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
A flow-microreactor approach to protecting-group-free synthesis using organolithium compounds. Nature communications 20110101
Properties