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89266-88-6 | Acetamide, N-[6-[(1,2-dihydro-2-thioxo-3-pyridinyl)amino]-3-pyridinyl]-
CAS No: 89266-88-6 Catalog No: AG0041TE MDL No:
Product Description
Catalog Number:
AG0041TE
Chemical Name:
Acetamide, N-[6-[(1,2-dihydro-2-thioxo-3-pyridinyl)amino]-3-pyridinyl]-
CAS Number:
89266-88-6
Molecular Formula:
C12H12N4OS
Molecular Weight:
260.3149
IUPAC Name:
N-[6-[(2-sulfanylidene-1H-pyridin-3-yl)amino]pyridin-3-yl]acetamide
InChI:
InChI=1S/C12H12N4OS/c1-8(17)15-9-4-5-11(14-7-9)16-10-3-2-6-13-12(10)18/h2-7H,1H3,(H,13,18)(H,14,16)(H,15,17)
InChI Key:
JDYMQVSWLRGALR-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(nc1)Nc1ccc[nH]c1=S
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.315g/mol
Monoisotopic Mass:
260.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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