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18960-93-5 | 2,6-Pyridinediamine, 4-(phenylthio)-
CAS No: 18960-93-5 Catalog No: AG002DT5 MDL No:
Product Description
Catalog Number:
AG002DT5
Chemical Name:
2,6-Pyridinediamine, 4-(phenylthio)-
CAS Number:
18960-93-5
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
IUPAC Name:
4-phenylsulfanylpyridine-2,6-diamine
InChI:
InChI=1S/C11H11N3S/c12-10-6-9(7-11(13)14-10)15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)
InChI Key:
OOGJAQNVSKNHDD-UHFFFAOYSA-N
SMILES:
Nc1cc(Sc2ccccc2)cc(n1)N
NSC Number:
71117
Properties
Complexity:
184
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:
4
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:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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