AC1NRDBN
3a-methyl-3-(2-methylphenyl)-5,5-dioxo-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione
Also Known As: Oprea1_713400|SR-01000043126-1|3a-methyl-3-(2-methylphenyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide|3a-Methyl-3-(2-methylphenyl)-2-sulfanylidenehexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione|3a-methyl-3-(2-methylphenyl)-5,5-dioxo-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione|3a-methyl-4-(2-methylphenyl)-5-thioxo-1,3,4,6,3a,6a-hexahydro-2,6-dithia-4-aza pentalene-2,2-dione
| Molecular Formula | C13H15NO2S3 |
|---|---|
| Molecular Weight | 313.0265 g/mol |
| LogP | 2.38882 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.0265 |
| Monoisotopic Mass | 313.0265 |
| Heavy Atoms | 19 |
| Complexity | 655.6071 |
Chemical Identifiers
| CAS Number | 4807-92-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=S)SC3C2(CS(=O)(=O)C3)C |
Product Overview
AC1NRDBN (CAS 4807-92-5), with molecular formula C13H15NO2S3 and molecular weight 313.0265 g/mol. IUPAC: 3a-methyl-3-(2-methylphenyl)-5,5-dioxo-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione.
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