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84108-97-4 | 1,2-Benzisothiazole, 3-(1-methylethyl)-, 1,1-dioxide
CAS No: 84108-97-4 Catalog No: AG004SSQ MDL No:
Product Description
Catalog Number:
AG004SSQ
Chemical Name:
1,2-Benzisothiazole, 3-(1-methylethyl)-, 1,1-dioxide
CAS Number:
84108-97-4
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
IUPAC Name:
3-propan-2-yl-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C10H11NO2S/c1-7(2)10-8-5-3-4-6-9(8)14(12,13)11-10/h3-7H,1-2H3
InChI Key:
CDYWBHRGEXHUPT-UHFFFAOYSA-N
SMILES:
CC(C1=NS(=O)(=O)c2c1cccc2)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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