basic_info |
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| Product_Name: | 2-METHYL-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-4-ONE |
| CAS: | 96680-77-2 |
| EnglishSynonyms: | 2-METHYL-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE ; 2-METHYL-3,5-DIHYDRO-2H-1,5-BENZOTHIAZEPIN-4-ONE ; 2,3-DIHYDRO-2-METHYL-1,5-BENZOTHIAZEPIN-4(5H)-ONE ; 2-METHYL-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-4-ONE |
| pro_mdlNumber: | MFCD00030760 |
| pro_acceptors: | 2 |
| pro_donors: | 1 |
| pro_smile: | CC1CC(=O)Nc2ccccc2S1 |
| InChi: | InChI=1S/C10H11NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-5,7H,6H2,1H3,(H,11,12) |
| InChiKey: | InChIKey=CXASIAXPOQHFJJ-UHFFFAOYSA-N |
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