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198058-14-9

198058-14-9 | 1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1-oxide

CAS No: 198058-14-9 Catalog No: AG002B9M MDL No:

Product Description

Catalog Number:
AG002B9M
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1-oxide
CAS Number:
198058-14-9
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
IUPAC Name:
2-methyl-1-oxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H7NO2S/c1-9-8(10)6-4-2-3-5-7(6)12(9)11/h2-5H,1H3
InChI Key:
RCCJNVIHSZWBTD-UHFFFAOYSA-N
SMILES:
O=s1n(C)c(=O)c2c1cccc2

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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