1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone
(1,3-benzodioxol-5-ylmethylideneamino)thiourea
Also Known As: Piperonal, thiosemicarbazone|Maybridge1_001188|EINECS 226-330-7|AI3-22896|(1,3-Benzodioxol-5-ylformaldehyde) thiosemicarbazone|(1,3-benzodioxol-5-ylmethylideneamino)thiourea|1,3-BENZODIOXOLE-5-CARBALDEHYDE THIOSEMICARBAZONE|4-19-00-01679 (Beilstein Handbook Reference)|1,3-Benzodioxole-5-carboxaldehyde, thiosemicarbazone|Hydrazinecarbothioamide, 2-(1,3-benzodioxol-5-ylmethylene)-|(E)-(2H-1,3-BENZODIOXOL-5-YLMETHYLIDENE)AMINOTHIOUREA|2-(Benzo[d][1,3]dioxol-5-ylmethylene)hydrazine-1-carbothioamide
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04155 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04155 |
| Monoisotopic Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 5351-85-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NNC(=S)N |
| InChIKey | XPZMHSMUMPMPMD-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone (CAS 5351-85-9), with molecular formula C9H9N3O2S and molecular weight 223.04155 g/mol. IUPAC: (1,3-benzodioxol-5-ylmethylideneamino)thiourea.
1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone is a custom synthesis product. We offer services from milligram to kilogram scale.
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