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25221-51-6 | 5H-Pyrimido[4,5-b][1,4]thiazin-6(7H)-one, 4-ethoxy-
CAS No: 25221-51-6 Catalog No: AG002QYN MDL No:MFCD24554167
Product Description
Catalog Number:
AG002QYN
Chemical Name:
5H-Pyrimido[4,5-b][1,4]thiazin-6(7H)-one, 4-ethoxy-
CAS Number:
25221-51-6
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD24554167
IUPAC Name:
4-ethoxy-5H-pyrimido[4,5-b][1,4]thiazin-6-one
InChI:
InChI=1S/C8H9N3O2S/c1-2-13-7-6-8(10-4-9-7)14-3-5(12)11-6/h4H,2-3H2,1H3,(H,11,12)
InChI Key:
UCYALYZNPTWSIP-UHFFFAOYSA-N
SMILES:
CCOc1ncnc2c1NC(=O)CS2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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