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76510-62-8 | 4(1H)-Pyrimidinone, 2-(ethylthio)-5-iodo-
CAS No: 76510-62-8 Catalog No: AG005XS7 MDL No:
Product Description
Catalog Number:
AG005XS7
Chemical Name:
4(1H)-Pyrimidinone, 2-(ethylthio)-5-iodo-
CAS Number:
76510-62-8
Molecular Formula:
C6H7IN2OS
Molecular Weight:
282.1020
IUPAC Name:
2-ethylsulfanyl-5-iodo-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7IN2OS/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
InChI Key:
ZDJKAMOTORCINM-UHFFFAOYSA-N
SMILES:
CCSc1nc(=O)c(c[nH]1)I
Properties
Complexity:
237
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:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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