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88217-87-2 | 1,2-Benzisothiazole-3(2H)-thione, 2-[2-(4-morpholinyl)ethyl]-
CAS No: 88217-87-2 Catalog No: AG004BEA MDL No:
Product Description
Catalog Number:
AG004BEA
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-[2-(4-morpholinyl)ethyl]-
CAS Number:
88217-87-2
Molecular Formula:
C13H16N2OS2
Molecular Weight:
280.4089
IUPAC Name:
2-(2-morpholin-4-ylethyl)-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C13H16N2OS2/c17-13-11-3-1-2-4-12(11)18-15(13)6-5-14-7-9-16-10-8-14/h1-4H,5-10H2
InChI Key:
YWIIMBUZMIWCQV-UHFFFAOYSA-N
SMILES:
S=c1n(CCN2CCOCC2)sc2c1cccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.404g/mol
Monoisotopic Mass:
280.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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