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214-97-1 | Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine
CAS No: 214-97-1 Catalog No: AG007QA9 MDL No:
Product Description
Catalog Number:
AG007QA9
Chemical Name:
Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine
CAS Number:
214-97-1
Molecular Formula:
C22H12N2S2
Molecular Weight:
368.4741
IUPAC Name:
3,26-dithia-10,19-diazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1,4,6,8,10,12,14,16,18,20,22,24-dodecaene
InChI:
InChI=1S/C22H12N2S2/c1-2-8-14-13(7-1)19-21(25-17-11-5-3-9-15(17)23-19)22-20(14)24-16-10-4-6-12-18(16)26-22/h1-12H
InChI Key:
JGYAWMNADRIACS-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(=N2)c2ccccc2c2=Nc3c(Sc12)cccc3
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.044g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.472g/mol
Monoisotopic Mass:
368.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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