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22801-59-8 | 1,2-BENZISOTHIAZOLE, 3-(4-MORPHOLINYL)-
CAS No: 22801-59-8 Catalog No: AG006WGY MDL No:
Product Description
Catalog Number:
AG006WGY
Chemical Name:
1,2-BENZISOTHIAZOLE, 3-(4-MORPHOLINYL)-
CAS Number:
22801-59-8
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
IUPAC Name:
4-(1,2-benzothiazol-3-yl)morpholine
InChI:
InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)11(12-15-10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChI Key:
SDSZPAKHNWSFEC-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)c1nsc2c1cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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