Home Aminos 1-{2-amino-4H,5H,6H-cyclopenta[b]thiophen-3-yl}ethan-1-one

1-{2-amino-4H,5H,6H-cyclopenta[b]thiophen-3-yl}ethan-1-one

CAS No.:
1368328-51-1
Catalog Number:
AG01AFV7
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
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Product Description
Catalog Number:
AG01AFV7
Chemical Name:
1-{2-amino-4H,5H,6H-cyclopenta[b]thiophen-3-yl}ethan-1-one
CAS Number:
1368328-51-1
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD21194516
IUPAC Name:
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
InChI:
InChI=1S/C9H11NOS/c1-5(11)8-6-3-2-4-7(6)12-9(8)10/h2-4,10H2,1H3
InChI Key:
BWVFRMWWDMKVNA-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(N)sc2c1CCC2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties