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73698-51-8 | 1,2-Benzisothiazol-3(2H)-one,2-[2-(diethylamino)ethyl]-, 1,1-dioxide, hydrochloride (1:1)
CAS No: 73698-51-8 Catalog No: AG005BYS MDL No:
Product Description
Catalog Number:
AG005BYS
Chemical Name:
1,2-Benzisothiazol-3(2H)-one,2-[2-(diethylamino)ethyl]-, 1,1-dioxide, hydrochloride (1:1)
CAS Number:
73698-51-8
Molecular Formula:
C13H19ClN2O3S
Molecular Weight:
318.8196
IUPAC Name:
2-[2-(diethylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
InChI:
InChI=1S/C13H18N2O3S.ClH/c1-3-14(4-2)9-10-15-13(16)11-7-5-6-8-12(11)19(15,17)18;/h5-8H,3-4,9-10H2,1-2H3;1H
InChI Key:
UFENYBRAMBMDHE-UHFFFAOYSA-N
SMILES:
CCN(CCN1C(=O)c2c(S1(=O)=O)cccc2)CC.Cl
NSC Number:
45120
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.816g/mol
Monoisotopic Mass:
318.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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