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123453-07-6 | Benzenamine, 2-(3,5-dimethyl-1,1-dioxido-2H-1,2-thiazin-2-yl)-
CAS No: 123453-07-6 Catalog No: AG000KL3 MDL No:
Product Description
Catalog Number:
AG000KL3
Chemical Name:
Benzenamine, 2-(3,5-dimethyl-1,1-dioxido-2H-1,2-thiazin-2-yl)-
CAS Number:
123453-07-6
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
2-(3,5-dimethyl-1,1-dioxothiazin-2-yl)aniline
InChI:
InChI=1S/C12H14N2O2S/c1-9-7-10(2)14(17(15,16)8-9)12-6-4-3-5-11(12)13/h3-8H,13H2,1-2H3
InChI Key:
SDQCHBBHNSJJQR-UHFFFAOYSA-N
SMILES:
CC1=CS(=O)(=O)N(C(=C1)C)c1ccccc1N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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