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100066-76-0 | 2H-1,4-Thiazino[3,2-c]quinolin-3(4H)-one
CAS No: 100066-76-0 Catalog No: AG0000T6 MDL No:
Product Description
Catalog Number:
AG0000T6
Chemical Name:
2H-1,4-Thiazino[3,2-c]quinolin-3(4H)-one
CAS Number:
100066-76-0
Molecular Formula:
C11H8N2OS
Molecular Weight:
216.2590
IUPAC Name:
4H-[1,4]thiazino[3,2-c]quinolin-3-one
InChI:
InChI=1S/C11H8N2OS/c14-10-6-15-11-7-3-1-2-4-8(7)12-5-9(11)13-10/h1-5H,6H2,(H,13,14)
InChI Key:
ZNIDRBYCIYAARE-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cnc1c2cccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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