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261-98-3 | 10H-Pyrimido[5,4-b][1,4]benzothiazine
CAS No: 261-98-3 Catalog No: AG002ROH MDL No:
Product Description
Catalog Number:
AG002ROH
Chemical Name:
10H-Pyrimido[5,4-b][1,4]benzothiazine
CAS Number:
261-98-3
Molecular Formula:
C10H7N3S
Molecular Weight:
201.2477
IUPAC Name:
10H-pyrimido[5,4-b][1,4]benzothiazine
InChI:
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)13-10-9(14-8)5-11-6-12-10/h1-6H,(H,11,12,13)
InChI Key:
LHJNPGJSDAVCHR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(N2)ncnc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.247g/mol
Monoisotopic Mass:
201.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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