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122522-30-9 | [1,4]Benzothiazino[3,2-c]phenothiazine (9CI)
CAS No: 122522-30-9 Catalog No: AG0017DI MDL No:
Product Description
Catalog Number:
AG0017DI
Chemical Name:
[1,4]Benzothiazino[3,2-c]phenothiazine (9CI)
CAS Number:
122522-30-9
Molecular Formula:
C18H10N2S2
Molecular Weight:
318.4154
IUPAC Name:
[1,4]benzothiazino[3,2-c]phenothiazine
InChI:
InChI=1S/C18H10N2S2/c1-3-7-15-11(5-1)19-13-9-10-14-18(17(13)21-15)22-16-8-4-2-6-12(16)20-14/h1-10H
InChI Key:
JNOAOGOLPXHFRF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(=N2)ccc2=Nc3c(Sc12)cccc3
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.029g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.412g/mol
Monoisotopic Mass:
318.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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