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338777-79-0 | 4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzothiazine
CAS No: 338777-79-0 Catalog No: AG00IPZT MDL No:MFCD00138831
Product Description
Catalog Number:
AG00IPZT
Chemical Name:
4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzothiazine
CAS Number:
338777-79-0
Molecular Formula:
C15H15NO2S2
Molecular Weight:
305.4151
MDL Number:
MFCD00138831
IUPAC Name:
4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
InChI:
InChI=1S/C15H15NO2S2/c1-12-6-8-13(9-7-12)20(17,18)16-10-11-19-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChI Key:
DWEIFPISVLXERN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCSc2c1cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.41g/mol
Monoisotopic Mass:
305.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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