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139535-51-6 | 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-bromo-7-methyl-
CAS No: 139535-51-6 Catalog No: AG001B7I MDL No:MFCD09040520
Product Description
Catalog Number:
AG001B7I
Chemical Name:
5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-bromo-7-methyl-
CAS Number:
139535-51-6
Molecular Formula:
C6H4BrN3OS
Molecular Weight:
246.0845
MDL Number:
MFCD09040520
IUPAC Name:
2-bromo-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C6H4BrN3OS/c1-3-2-4(11)10-6(8-3)12-5(7)9-10/h2H,1H3
InChI Key:
AIPJVKHLEHRDNF-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n2c(n1)sc(n2)Br
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.926g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.082g/mol
Monoisotopic Mass:
244.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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