Home Other Building Blocks 1-(3,7-dimethylbenzo[b]thiophen-2-yl)ethanone

1-(3,7-dimethylbenzo[b]thiophen-2-yl)ethanone

CAS No.:
6179-06-2
Catalog Number:
AG01DTDA
Molecular Formula:
C12H12OS
Molecular Weight:
204.2881
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Product Description
Catalog Number:
AG01DTDA
Chemical Name:
1-(3,7-dimethylbenzo[b]thiophen-2-yl)ethanone
CAS Number:
6179-06-2
Molecular Formula:
C12H12OS
Molecular Weight:
204.2881
MDL Number:
MFCD12799843
IUPAC Name:
1-(3,7-dimethyl-1-benzothiophen-2-yl)ethanone
InChI:
InChI=1S/C12H12OS/c1-7-5-4-6-10-8(2)12(9(3)13)14-11(7)10/h4-6H,1-3H3
InChI Key:
BPCHHUKWYHUXOD-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc2c(c1C)cccc2C
Properties
Complexity:
239  
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:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties