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81411-81-6 | NAPHTH[2',3':4,5]IMIDAZO[2,1-B]THIAZOLE-5,10-DIONE
CAS No: 81411-81-6 Catalog No: AG0052ME MDL No:
Product Description
Catalog Number:
AG0052ME
Chemical Name:
NAPHTH[2',3':4,5]IMIDAZO[2,1-B]THIAZOLE-5,10-DIONE
CAS Number:
81411-81-6
Molecular Formula:
C13H6N2O2S
Molecular Weight:
254.2639
IUPAC Name:
14-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,12,15-hexaene-2,9-dione
InChI:
InChI=1S/C13H6N2O2S/c16-11-7-3-1-2-4-8(7)12(17)10-9(11)14-13-15(10)5-6-18-13/h1-6H
InChI Key:
CXIXCKZVDMEUJI-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1n1ccsc1n2
UNII:
8E1X0JO4MH
NSC Number:
338628
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.263g/mol
Monoisotopic Mass:
254.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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