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72877-65-7 | 2H-1,2-Thiazine, 2-(2,6-dimethylphenyl)-3,5-dimethyl-, 1,1-dioxide
CAS No: 72877-65-7 Catalog No: AG005ZXB MDL No:
Product Description
Catalog Number:
AG005ZXB
Chemical Name:
2H-1,2-Thiazine, 2-(2,6-dimethylphenyl)-3,5-dimethyl-, 1,1-dioxide
CAS Number:
72877-65-7
Molecular Formula:
C14H17NO2S
Molecular Weight:
263.3553
IUPAC Name:
2-(2,6-dimethylphenyl)-3,5-dimethylthiazine 1,1-dioxide
InChI:
InChI=1S/C14H17NO2S/c1-10-8-13(4)15(18(16,17)9-10)14-11(2)6-5-7-12(14)3/h5-9H,1-4H3
InChI Key:
GBKSVWCQVVVDIS-UHFFFAOYSA-N
SMILES:
CC1=CS(=O)(=O)N(C(=C1)C)c1c(C)cccc1C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.355g/mol
Monoisotopic Mass:
263.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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