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18960-94-6

18960-94-6 | 2,6-Pyridinediamine, 4-[(4-chlorophenyl)thio]-

CAS No: 18960-94-6 Catalog No: AG002DT4 MDL No:

Product Description

Catalog Number:
AG002DT4
Chemical Name:
2,6-Pyridinediamine, 4-[(4-chlorophenyl)thio]-
CAS Number:
18960-94-6
Molecular Formula:
C11H10ClN3S
Molecular Weight:
251.7352
IUPAC Name:
4-(4-chlorophenyl)sulfanylpyridine-2,6-diamine
InChI:
InChI=1S/C11H10ClN3S/c12-7-1-3-8(4-2-7)16-9-5-10(13)15-11(14)6-9/h1-6H,(H4,13,14,15)
InChI Key:
SGRFUAPQBZWQCQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1cc(N)nc(c1)N
NSC Number:
71116

Properties

Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.028g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.732g/mol
Monoisotopic Mass:
251.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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