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258-74-2 | Triphenodithiazine
CAS No: 258-74-2 Catalog No: AG006VFC MDL No:
Product Description
Catalog Number:
AG006VFC
Chemical Name:
Triphenodithiazine
CAS Number:
258-74-2
Molecular Formula:
C18H10N2S2
Molecular Weight:
318.4154
IUPAC Name:
[1,4]benzothiazino[2,3-b]phenothiazine
InChI:
InChI=1S/C18H10N2S2/c1-3-7-15-11(5-1)19-13-9-18-14(10-17(13)21-15)20-12-6-2-4-8-16(12)22-18/h1-10H
InChI Key:
YVRQEGLKRIHRCH-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)N=c1c(S2)cc2=Nc3c(Sc2c1)cccc3
Properties
Complexity:
563
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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