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138488-57-0 | 2-Pyrazineethanol, α-[4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl]-6-methyl-
CAS No: 138488-57-0 Catalog No: AG0019A1 MDL No:
Product Description
Catalog Number:
AG0019A1
Chemical Name:
2-Pyrazineethanol, α-[4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl]-6-methyl-
CAS Number:
138488-57-0
Molecular Formula:
C12H15BrN4OS
Molecular Weight:
343.2427
IUPAC Name:
1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(6-methylpyrazin-2-yl)ethanol
InChI:
InChI=1S/C12H15BrN4OS/c1-7-5-14-6-8(15-7)4-9(18)10-11(13)16-12(19-3)17(10)2/h5-6,9,18H,4H2,1-3H3
InChI Key:
DUYOZZMUQULMIT-UHFFFAOYSA-N
SMILES:
CSc1nc(c(n1C)C(Cc1cncc(n1)C)O)Br
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.243g/mol
Monoisotopic Mass:
342.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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