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94087-34-0 | 3-(PIPERIDIN-1-YLMETHOXY)-1,2-BENZISOTHIAZOLE
CAS No: 94087-34-0 Catalog No: AG0068UD MDL No:
Product Description
Catalog Number:
AG0068UD
Chemical Name:
3-(PIPERIDIN-1-YLMETHOXY)-1,2-BENZISOTHIAZOLE
CAS Number:
94087-34-0
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
3-(piperidin-1-ylmethoxy)-1,2-benzothiazole
InChI:
InChI=1S/C13H16N2OS/c1-4-8-15(9-5-1)10-16-13-11-6-2-3-7-12(11)17-14-13/h2-3,6-7H,1,4-5,8-10H2
InChI Key:
HJXUOFPXICRUTQ-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)COc1nsc2c1cccc2
EC Number:
301-928-1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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