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16233-51-5 | 1H-Thieno[3,2-d]pyrimidine-2,4-dione
CAS No: 16233-51-5 Catalog No: AG001T0J MDL No:MFCD09909655
Product Description
Catalog Number:
AG001T0J
Chemical Name:
1H-Thieno[3,2-d]pyrimidine-2,4-dione
CAS Number:
16233-51-5
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
MDL Number:
MFCD09909655
IUPAC Name:
1H-thieno[3,2-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C6H4N2O2S/c9-5-4-3(1-2-11-4)7-6(10)8-5/h1-2H,(H2,7,8,9,10)
InChI Key:
QAFVXBQPQCSSLI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)ccs2
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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