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100276-81-1 | Pyrimidine, 2,4-diiodo-5-(methylthio)-
CAS No: 100276-81-1 Catalog No: AG0001GE MDL No:
Product Description
Catalog Number:
AG0001GE
Chemical Name:
Pyrimidine, 2,4-diiodo-5-(methylthio)-
CAS Number:
100276-81-1
Molecular Formula:
C5H4I2N2S
Molecular Weight:
377.9726
IUPAC Name:
2,4-diiodo-5-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H4I2N2S/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
InChI Key:
UVSAIIJMRROJBV-UHFFFAOYSA-N
SMILES:
CSc1cnc(nc1I)I
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.818g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.97g/mol
Monoisotopic Mass:
377.818g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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