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109138-47-8

109138-47-8 | 1,2-Benzisothiazol-3(2H)-one, 4-(1,1-dimethylethyl)-, 1,1-dioxide

CAS No: 109138-47-8 Catalog No: AG007TNT MDL No:

Product Description

Catalog Number:
AG007TNT
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 4-(1,1-dimethylethyl)-, 1,1-dioxide
CAS Number:
109138-47-8
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
IUPAC Name:
4-tert-butyl-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C11H13NO3S/c1-11(2,3)7-5-4-6-8-9(7)10(13)12-16(8,14)15/h4-6H,1-3H3,(H,12,13)
InChI Key:
RZDVCYHZYFLUNA-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)c2c1c(ccc2)C(C)(C)C

Properties

Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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