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92681-07-7 | 1,2-Benzisothiazol-3(2H)-one, 2-ethyl-5-methyl-, 1,1-dioxide
CAS No: 92681-07-7 Catalog No: AG006EXM MDL No:
Product Description
Catalog Number:
AG006EXM
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-ethyl-5-methyl-, 1,1-dioxide
CAS Number:
92681-07-7
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
2-ethyl-5-methyl-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C10H11NO3S/c1-3-11-10(12)8-6-7(2)4-5-9(8)15(11,13)14/h4-6H,3H2,1-2H3
InChI Key:
KJAFQEXFBYSSOL-UHFFFAOYSA-N
SMILES:
CCN1C(=O)c2c(S1(=O)=O)ccc(c2)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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