Vinum, on Lange Gasse, across from the Stiftskirche, has many wines, spirits, and other things, and a great atmosphere to boot. A great place to buy a gift for someone.
Mokka, on Collegiumsgasse near the Wilhelmstift, is a great place to buy teas, coffees, and chocolates. Again, a great place to buy gifts for someone.
There are a some tourist shops that sell souvenirs mugs, T-Shirts etc.: one at Holzmarkt and the other at Marktplatz, furthermore one in tourist information at Neckarbrücke.