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263897-63-8 | 2-Pyrimidinamine, 4-methyl-5-(phenylthio)-
CAS No: 263897-63-8 Catalog No: AG002SZP MDL No:MFCD00097939
Product Description
Catalog Number:
AG002SZP
Chemical Name:
2-Pyrimidinamine, 4-methyl-5-(phenylthio)-
CAS Number:
263897-63-8
Molecular Formula:
C11H11N3S
Molecular Weight:
217.2901
MDL Number:
MFCD00097939
IUPAC Name:
4-methyl-5-phenylsulfanylpyrimidin-2-amine
InChI:
InChI=1S/C11H11N3S/c1-8-10(7-13-11(12)14-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14)
InChI Key:
VIDGCIWOPYNDCN-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)C)Sc1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.29g/mol
Monoisotopic Mass:
217.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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