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339339-54-7 | 5-(5-Iodo-furan-2-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione
CAS No: 339339-54-7 Catalog No: AG00JRXL MDL No:
Product Description
Catalog Number:
AG00JRXL
Chemical Name:
5-(5-Iodo-furan-2-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione
CAS Number:
339339-54-7
Molecular Formula:
C9H5IN2O3S
Molecular Weight:
348.1171
IUPAC Name:
5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C9H5IN2O3S/c10-6-2-1-4(15-6)3-5-7(13)11-9(16)12-8(5)14/h1-3H,(H2,11,12,13,14,16)
InChI Key:
SPTYIBTUVRDDRA-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)NC(=O)C1=Cc1ccc(o1)I
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.907g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.114g/mol
Monoisotopic Mass:
347.907g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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