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31458-38-5 | 6-Iodothymine
CAS No: 31458-38-5 Catalog No: AG00CYW7 MDL No:
Product Description
Catalog Number:
AG00CYW7
Chemical Name:
6-Iodothymine
CAS Number:
31458-38-5
IUPAC Name:
6-iodo-5-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5IN2O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H2,7,8,9,10)
InChI Key:
XCOHNQGWGYTROQ-UHFFFAOYSA-N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.011g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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