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72456-17-8 | [1,4]Thiazino[3,4-b]quinazolin-6(1H)-one, 3,4-dihydro-
CAS No: 72456-17-8 Catalog No: AG005THH MDL No:
Product Description
Catalog Number:
AG005THH
Chemical Name:
[1,4]Thiazino[3,4-b]quinazolin-6(1H)-one, 3,4-dihydro-
CAS Number:
72456-17-8
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
IUPAC Name:
3,4-dihydro-1H-[1,4]thiazino[3,4-b]quinazolin-6-one
InChI:
InChI=1S/C11H10N2OS/c14-11-8-3-1-2-4-9(8)12-10-7-15-6-5-13(10)11/h1-4H,5-7H2
InChI Key:
CYSWEWZLZSKKLE-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2nc2n1CCSC2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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