Home Halogens 6-bromo-2-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

6-bromo-2-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:
1159979-34-6
Catalog Number:
AG01E954
Molecular Formula:
C7H5BrN2OS
Molecular Weight:
245.0964
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Product Description
Catalog Number:
AG01E954
Chemical Name:
6-bromo-2-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS Number:
1159979-34-6
Molecular Formula:
C7H5BrN2OS
Molecular Weight:
245.0964
MDL Number:
MFCD12196496
IUPAC Name:
6-bromo-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H5BrN2OS/c1-3-9-6(11)4-2-5(8)12-7(4)10-3/h2H,1H3,(H,9,10,11)
InChI Key:
FPURGQYERSQEGY-UHFFFAOYSA-N
SMILES:
Brc1sc2c(c1)c(=O)[nH]c(n2)C
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.931g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.094g/mol
Monoisotopic Mass:
243.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties