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256220-98-1 | 1,2-Benzisothiazole,2,3-dihydro-2-methyl-3-phenyl-, 1,1-dioxide, (3S)-
CAS No: 256220-98-1 Catalog No: AG007MH6 MDL No:
Product Description
Catalog Number:
AG007MH6
Chemical Name:
1,2-Benzisothiazole,2,3-dihydro-2-methyl-3-phenyl-, 1,1-dioxide, (3S)-
CAS Number:
256220-98-1
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
(3S)-2-methyl-3-phenyl-3H-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C14H13NO2S/c1-15-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)18(15,16)17/h2-10,14H,1H3/t14-/m0/s1
InChI Key:
LWNGSEVTQKWXCT-AWEZNQCLSA-N
SMILES:
CN1[C@@H](c2ccccc2)c2c(S1(=O)=O)cccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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