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159852-73-0 | 11H-Thieno[3',2':4,5]pyrimido[2,1-b]benzothiazol-11-one
CAS No: 159852-73-0 Catalog No: AG001RGB MDL No:
Product Description
Catalog Number:
AG001RGB
Chemical Name:
11H-Thieno[3',2':4,5]pyrimido[2,1-b]benzothiazol-11-one
CAS Number:
159852-73-0
Molecular Formula:
C12H6N2OS2
Molecular Weight:
258.3188
IUPAC Name:
8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
InChI:
InChI=1S/C12H6N2OS2/c15-11-10-7(5-6-16-10)13-12-14(11)8-3-1-2-4-9(8)17-12/h1-6H
InChI Key:
IQOVESQGPDBVAQ-UHFFFAOYSA-N
SMILES:
O=c1n2c(nc3c1scc3)sc1c2cccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.313g/mol
Monoisotopic Mass:
257.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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