Home Other Building Blocks 3-(1-benzothiophen-2-yl)butan-2-one

3-(1-benzothiophen-2-yl)butan-2-one

CAS No.:
1601907-73-6
Catalog Number:
AG01DVRC
Molecular Formula:
C12H12OS
Molecular Weight:
204.2881
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Product Description
Catalog Number:
AG01DVRC
Chemical Name:
3-(1-benzothiophen-2-yl)butan-2-one
CAS Number:
1601907-73-6
Molecular Formula:
C12H12OS
Molecular Weight:
204.2881
MDL Number:
MFCD31629106
IUPAC Name:
3-(1-benzothiophen-2-yl)butan-2-one
InChI:
InChI=1S/C12H12OS/c1-8(9(2)13)12-7-10-5-3-4-6-11(10)14-12/h3-8H,1-2H3
InChI Key:
VONODQNXGPGXGS-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1cc2c(s1)cccc2)C
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.287g/mol
Monoisotopic Mass:
204.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties