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87568-81-8 | Pyrimidine, 4-(methylthio)-6-(2-pyridinyl)-2-(2-thienyl)-
CAS No: 87568-81-8 Catalog No: AG004R1C MDL No:
Product Description
Catalog Number:
AG004R1C
Chemical Name:
Pyrimidine, 4-(methylthio)-6-(2-pyridinyl)-2-(2-thienyl)-
CAS Number:
87568-81-8
Molecular Formula:
C14H11N3S2
Molecular Weight:
285.3872
IUPAC Name:
4-methylsulfanyl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine
InChI:
InChI=1S/C14H11N3S2/c1-18-13-9-11(10-5-2-3-7-15-10)16-14(17-13)12-6-4-8-19-12/h2-9H,1H3
InChI Key:
MJEBDSBXJVKRMG-UHFFFAOYSA-N
SMILES:
CSc1cc(nc(n1)c1cccs1)c1ccccn1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.383g/mol
Monoisotopic Mass:
285.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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