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102243-12-9 | Benzenamine, 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-
CAS No: 102243-12-9 Catalog No: AG0006ZX MDL No:MFCD00203030
Product Description
Catalog Number:
AG0006ZX
Chemical Name:
Benzenamine, 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-
CAS Number:
102243-12-9
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
MDL Number:
MFCD00203030
IUPAC Name:
4-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
InChI:
InChI=1S/C12H13N3S/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
InChI Key:
FPLNYQRUEFPJPX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1nc(C)cc(n1)C
Properties
Complexity:
206
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:
1
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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