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149587-33-7 | Thieno[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-7-methyl-
CAS No: 149587-33-7 Catalog No: AG001LU8 MDL No:
Product Description
Catalog Number:
AG001LU8
Chemical Name:
Thieno[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-7-methyl-
CAS Number:
149587-33-7
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
IUPAC Name:
7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
InChI:
InChI=1S/C7H6N2O2S/c1-3-2-12-7-4(3)8-5(10)6(11)9-7/h2H,1H3,(H,8,10)(H,9,11)
InChI Key:
PMWJZDLFWVIZEV-UHFFFAOYSA-N
SMILES:
Cc1csc2c1[nH]c(=O)c(=O)[nH]2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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