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89266-87-5 | 2(1H)-Pyridinethione, 3-[(4-methyl-2-pyridinyl)amino]-
CAS No: 89266-87-5 Catalog No: AG0041G1 MDL No:
Product Description
Catalog Number:
AG0041G1
Chemical Name:
2(1H)-Pyridinethione, 3-[(4-methyl-2-pyridinyl)amino]-
CAS Number:
89266-87-5
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
IUPAC Name:
3-[(4-methylpyridin-2-yl)amino]-1H-pyridine-2-thione
InChI:
InChI=1S/C11H11N3S/c1-8-4-6-12-10(7-8)14-9-3-2-5-13-11(9)15/h2-7H,1H3,(H,12,14)(H,13,15)
InChI Key:
APVDAZAGNPSMCZ-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)Nc1ccc[nH]c1=S
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.29g/mol
Monoisotopic Mass:
217.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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