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5984-97-4 | Iodothiouracil
CAS No: 5984-97-4 Catalog No: AG00EIPN MDL No:MFCD00869151
Product Description
Catalog Number:
AG00EIPN
Chemical Name:
Iodothiouracil
CAS Number:
5984-97-4
Molecular Formula:
C4H3IN2OS
Molecular Weight:
254.0489
MDL Number:
MFCD00869151
IUPAC Name:
5-iodo-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C4H3IN2OS/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChI Key:
MYUHSNVSHMCUMD-UHFFFAOYSA-N
SMILES:
Ic1c[nH]c(=S)[nH]c1=O
UNII:
61O17612T5
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.901g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.045g/mol
Monoisotopic Mass:
253.901g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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