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149587-32-6 | Thieno[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-
CAS No: 149587-32-6 Catalog No: AG001LU9 MDL No:
Product Description
Catalog Number:
AG001LU9
Chemical Name:
Thieno[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-
CAS Number:
149587-32-6
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
IUPAC Name:
1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
InChI:
InChI=1S/C6H4N2O2S/c9-4-5(10)8-6-3(7-4)1-2-11-6/h1-2H,(H,7,9)(H,8,10)
InChI Key:
WOQHXCRNXSUHIJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2sccc2[nH]c1=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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