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76510-64-0 | 4(1H)-Pyrimidinone, 5-iodo-6-methyl-2-(methylthio)-
CAS No: 76510-64-0 Catalog No: AG005BLN MDL No:MFCD01150903
Product Description
Catalog Number:
AG005BLN
Chemical Name:
4(1H)-Pyrimidinone, 5-iodo-6-methyl-2-(methylthio)-
CAS Number:
76510-64-0
Molecular Formula:
C6H7IN2OS
Molecular Weight:
282.1020
MDL Number:
MFCD01150903
IUPAC Name:
5-iodo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7IN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChI Key:
ZJXNKOCFKZYAGQ-UHFFFAOYSA-N
SMILES:
CSc1nc(=O)c(c([nH]1)C)I
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.932g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.099g/mol
Monoisotopic Mass:
281.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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