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118535-59-4 | 1,4,2-Dithiazine, 3,5,6-triphenyl-
CAS No: 118535-59-4 Catalog No: AG00812F MDL No:
Product Description
Catalog Number:
AG00812F
Chemical Name:
1,4,2-Dithiazine, 3,5,6-triphenyl-
CAS Number:
118535-59-4
Molecular Formula:
C21H15NS2
Molecular Weight:
345.4805
IUPAC Name:
3,5,6-triphenyl-1,4,2-dithiazine
InChI:
InChI=1S/C21H15NS2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)24-22-21(23-19)18-14-8-3-9-15-18/h1-15H
InChI Key:
JMALZEGKVDYZPC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NSC(=C(S1)c1ccccc1)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.065g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.478g/mol
Monoisotopic Mass:
345.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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