RefChem:1049215
(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl carbamimidothioate;hydrobromide
Also Known As: 2-(3,6-Endoxohexahydrophthalimidomethylthio)pseudourea hydrobromide|S-3,6-Endoxohexahydrophthalimidomethylisothiouronium bromide|Pseudourea, 2-(3,6-endoxohexahydrophthalimidomethylthio)-, hydrobromide|(1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)methyl carbamimidothioate--hydrogen bromide (1/1)|Carbamimidothioic acid, (octahydro-1,3-dioxo-4,7-epoxy-2H-isoindol-2-yl)methyl ester, monohydrobromide
| Molecular Formula | C10H14BrN3O3S |
|---|---|
| Molecular Weight | 334.99393 g/mol |
| LogP | 0.31087 |
| Topological Polar Surface Area | 96.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.99393 |
| Monoisotopic Mass | 334.99393 |
| Heavy Atoms | 18 |
| Complexity | 391.1721 |
Chemical Identifiers
| CAS Number | 73840-01-4 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)CSC(=N)N.Br |
Product Overview
RefChem:1049215 (CAS 73840-01-4), with molecular formula C10H14BrN3O3S and molecular weight 334.99393 g/mol. IUPAC: (1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl carbamimidothioate;hydrobromide.
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