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189182-90-9 | Triphenodithiazine, 3-methoxy-
CAS No: 189182-90-9 Catalog No: AG002HZX MDL No:
Product Description
Catalog Number:
AG002HZX
Chemical Name:
Triphenodithiazine, 3-methoxy-
CAS Number:
189182-90-9
Molecular Formula:
C19H12N2OS2
Molecular Weight:
348.4414
IUPAC Name:
3-methoxy-[1,4]benzothiazino[2,3-b]phenothiazine
InChI:
InChI=1S/C19H12N2OS2/c1-22-11-6-7-13-17(8-11)24-19-10-14-18(9-15(19)21-13)23-16-5-3-2-4-12(16)20-14/h2-10H,1H3
InChI Key:
LPGXLDJHMPBWEF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)Sc1c(=N2)cc2c(=Nc3c(S2)cccc3)c1
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.039g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.438g/mol
Monoisotopic Mass:
348.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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