basic_info |
|
| Product_Name： | 3-METHYLBENZOTHIAZOLIUM TOLUENE-4-SULPHONATE |
| CAS： | 6112-39-6 |
| EnglishSynonyms： | 3-METHYLBENZOTHIAZOLIUM TOLUENE-4-SULPHONATE |
| pro_mdlNumber： | MFCD00031759 |
| pro_acceptors： | 3 |
| pro_donors： | 0 |
| pro_smile： | Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1csc2c1cccc2 |
| InChi： | InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChiKey： | InChIKey=VSLLSCGWLKZXJL-UHFFFAOYSA-M |
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