AC1NE6Q2
5-[[3-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid
Also Known As: 5-{[(2Z)-3-(3,4-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoic acid|(Z)-5-((3-(3,4-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-5-oxopentanoic acid|5-[[3-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid
| Molecular Formula | C18H22N2O5S2 |
|---|---|
| Molecular Weight | 410.09702 g/mol |
| LogP | 2.15974 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.09702 |
| Monoisotopic Mass | 410.09702 |
| Heavy Atoms | 27 |
| Complexity | 910.3271 |
Chemical Identifiers
| CAS Number | 877807-30-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)CCCC(=O)O)C |
Product Overview
AC1NE6Q2 (CAS 877807-30-2), with molecular formula C18H22N2O5S2 and molecular weight 410.09702 g/mol. IUPAC: 5-[[3-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-5-oxopentanoic acid.
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