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84108-99-6 | 1,2-Benzisothiazole, 3-butyl-2,3-dihydro-, 1,1-dioxide
CAS No: 84108-99-6 Catalog No: AG004SSP MDL No:
Product Description
Catalog Number:
AG004SSP
Chemical Name:
1,2-Benzisothiazole, 3-butyl-2,3-dihydro-, 1,1-dioxide
CAS Number:
84108-99-6
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
3-butyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C11H15NO2S/c1-2-3-7-10-9-6-4-5-8-11(9)15(13,14)12-10/h4-6,8,10,12H,2-3,7H2,1H3
InChI Key:
MBLACQCCSHJNKH-UHFFFAOYSA-N
SMILES:
CCCCC1NS(=O)(=O)c2c1cccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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