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832075-86-2 | 2-Pyrimidinamine, 4-(methylsulfonyl)-6-(2-thienyl)-
CAS No: 832075-86-2 Catalog No: AG004VL9 MDL No:
Product Description
Catalog Number:
AG004VL9
Chemical Name:
2-Pyrimidinamine, 4-(methylsulfonyl)-6-(2-thienyl)-
CAS Number:
832075-86-2
Molecular Formula:
C9H9N3O2S2
Molecular Weight:
255.3167
IUPAC Name:
4-methylsulfonyl-6-thiophen-2-ylpyrimidin-2-amine
InChI:
InChI=1S/C9H9N3O2S2/c1-16(13,14)8-5-6(11-9(10)12-8)7-3-2-4-15-7/h2-5H,1H3,(H2,10,11,12)
InChI Key:
WSRMKWFNLWDWPX-UHFFFAOYSA-N
SMILES:
Nc1nc(cc(n1)S(=O)(=O)C)c1cccs1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.014g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.31g/mol
Monoisotopic Mass:
255.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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