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18960-92-4 | 2,6-Pyridinediamine, 4-[(phenylmethyl)thio]-
CAS No: 18960-92-4 Catalog No: AG002DT6 MDL No:
Product Description
Catalog Number:
AG002DT6
Chemical Name:
2,6-Pyridinediamine, 4-[(phenylmethyl)thio]-
CAS Number:
18960-92-4
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
IUPAC Name:
4-benzylsulfanylpyridine-2,6-diamine
InChI:
InChI=1S/C12H13N3S/c13-11-6-10(7-12(14)15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H4,13,14,15)
InChI Key:
LTFCNVVIFOJGMB-UHFFFAOYSA-N
SMILES:
Nc1cc(SCc2ccccc2)cc(n1)N
NSC Number:
71115
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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