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31968-33-9 | 1-(3-Aminothiophen-2-yl)ethanone
CAS No: 31968-33-9 Catalog No: AG003CW6 MDL No:MFCD00052585
Product Description
Catalog Number:
AG003CW6
Chemical Name:
1-(3-Aminothiophen-2-yl)ethanone
CAS Number:
31968-33-9
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD00052585
IUPAC Name:
1-(3-aminothiophen-2-yl)ethanone
InChI:
InChI=1S/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3
InChI Key:
MMLSKDGCLMDHAJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1sccc1N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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