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89406-09-7 | 4H-3,1-Benzothiazine-4-thione, 2-(4-methylphenyl)-, S-oxide
CAS No: 89406-09-7 Catalog No: AG003VSX MDL No:
Product Description
Catalog Number:
AG003VSX
Chemical Name:
4H-3,1-Benzothiazine-4-thione, 2-(4-methylphenyl)-, S-oxide
CAS Number:
89406-09-7
Molecular Formula:
C15H11NOS2
Molecular Weight:
285.3839
IUPAC Name:
2-(4-methylphenyl)-4-sulfinyl-3,1-benzothiazine
InChI:
InChI=1S/C15H11NOS2/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18-14)19-17/h2-9H,1H3
InChI Key:
SNFLFJNCVUYZAG-UHFFFAOYSA-N
SMILES:
O=S=c1sc(nc2c1cccc2)c1ccc(cc1)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.379g/mol
Monoisotopic Mass:
285.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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