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33210-01-4 | 2-[(4-methylphenyl)sulfonyl]-3,6-dihydro-2h-1,2-thiazine 1-oxide
CAS No: 33210-01-4 Catalog No: AG007GR0 MDL No:
Product Description
Catalog Number:
AG007GR0
Chemical Name:
2-[(4-methylphenyl)sulfonyl]-3,6-dihydro-2h-1,2-thiazine 1-oxide
CAS Number:
33210-01-4
Molecular Formula:
C11H13NO3S2
Molecular Weight:
271.3558
IUPAC Name:
2-(4-methylphenyl)sulfonyl-3,6-dihydrothiazine 1-oxide
InChI:
InChI=1S/C11H13NO3S2/c1-10-4-6-11(7-5-10)17(14,15)12-8-2-3-9-16(12)13/h2-7H,8-9H2,1H3
InChI Key:
OVRXKGGZZHBLNJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC=CCS1=O
NSC Number:
134317
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.349g/mol
Monoisotopic Mass:
271.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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