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2204368-16-9 | 4-(3-Iodo-1H-Pyrazol-4-Yl)-2-(Methylthio)Pyrimidine Hydrochloride
CAS No: 2204368-16-9 Catalog No: AG01DTX0 MDL No:MFCD28992130
Product Description
Catalog Number:
AG01DTX0
Chemical Name:
4-(3-Iodo-1H-Pyrazol-4-Yl)-2-(Methylthio)Pyrimidine Hydrochloride
CAS Number:
2204368-16-9
Molecular Formula:
C8H8ClIN4S
Molecular Weight:
354.5984
MDL Number:
MFCD28992130
IUPAC Name:
4-(5-iodo-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine;hydrochloride
InChI:
InChI=1S/C8H7IN4S.ClH/c1-14-8-10-3-2-6(12-8)5-4-11-13-7(5)9;/h2-4H,1H3,(H,11,13);1H
InChI Key:
FDUWEWGYEPEGSM-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)c1c[nH]nc1I.Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.92g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.594g/mol
Monoisotopic Mass:
353.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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