1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone
TL;DR: 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone (CAS 5351-85-9) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 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 |
| 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 223.04 g/mol. IUPAC: (1,3-benzodioxol-5-ylmethylideneamino)thiourea.
Chemical Property Profile of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone
Property Insights of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone?
The CAS number of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone is 5351-85-9.
What is the molecular formula of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone?
The molecular formula of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone is C9H9N3O2S.
What is the molecular weight of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone?
The molecular weight of 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone is 223.04 g/mol.
Where can I buy 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone?
You can request a quote for 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carbaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.