Home Other Building Blocks N5-[3-(methylsulfanyl)phenyl]pyridine-2,5-diamine

N5-[3-(methylsulfanyl)phenyl]pyridine-2,5-diamine

CAS No.:
1018523-30-2
Catalog Number:
AG01B4YU
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
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Product Description
Catalog Number:
AG01B4YU
Chemical Name:
N5-[3-(methylsulfanyl)phenyl]pyridine-2,5-diamine
CAS Number:
1018523-30-2
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
MDL Number:
MFCD10009226
IUPAC Name:
5-N-(3-methylsulfanylphenyl)pyridine-2,5-diamine
InChI:
InChI=1S/C12H13N3S/c1-16-11-4-2-3-9(7-11)15-10-5-6-12(13)14-8-10/h2-8,15H,1H3,(H2,13,14)
InChI Key:
OYEVMVAUFQAWFT-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)Nc1ccc(nc1)N
Properties
Complexity:
212  
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:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties