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89487-99-0 | 4-Hydroxy-2-(methylthio);pyrimidine-5-carbonitrile
CAS No: 89487-99-0 Catalog No: AG003MPG MDL No:MFCD00194951
Product Description
Catalog Number:
AG003MPG
Chemical Name:
4-Hydroxy-2-(methylthio);pyrimidine-5-carbonitrile
CAS Number:
89487-99-0
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
MDL Number:
MFCD00194951
IUPAC Name:
2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H5N3OS/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,1H3,(H,8,9,10)
InChI Key:
XTLKENCFQIAAJK-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(=O)[nH]1)C#N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.186g/mol
Monoisotopic Mass:
167.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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