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118110-35-3 | 10H-Phenothiazine, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 118110-35-3 Catalog No: AG0081C5 MDL No:
Product Description
Catalog Number:
AG0081C5
Chemical Name:
10H-Phenothiazine, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
118110-35-3
Molecular Formula:
C19H15NO2S2
Molecular Weight:
353.4579
IUPAC Name:
1-(4-methylphenyl)sulfonyl-10H-phenothiazine
InChI:
InChI=1S/C19H15NO2S2/c1-13-9-11-14(12-10-13)24(21,22)18-8-4-7-17-19(18)20-15-5-2-3-6-16(15)23-17/h2-12,20H,1H3
InChI Key:
WTFALXDDBODTLS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1cccc2c1Nc1ccccc1S2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.054g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.454g/mol
Monoisotopic Mass:
353.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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