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87676-06-0 | Ethanone, 1-(3-amino-4,5-dimethyl-2-thienyl)-
CAS No: 87676-06-0 Catalog No: AG004NZ2 MDL No:
Product Description
Catalog Number:
AG004NZ2
Chemical Name:
Ethanone, 1-(3-amino-4,5-dimethyl-2-thienyl)-
CAS Number:
87676-06-0
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
IUPAC Name:
1-(3-amino-4,5-dimethylthiophen-2-yl)ethanone
InChI:
InChI=1S/C8H11NOS/c1-4-6(3)11-8(5(2)10)7(4)9/h9H2,1-3H3
InChI Key:
IJEFQXHTHWVGTE-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(c(c1N)C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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