1-(3,4-Dihydroxybenzylidene)thiosemicarbazide
TL;DR: 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide (CAS 22043-07-8) is a chemical compound with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
Also Known As: 3,4-dihydroxybenzaldehyde thiosemicarbazone, 1-(3,4-dihydroxybenzylidene)thiosemicarbazide, (E)-[(3,4-DIHYDROXYPHENYL)METHYLIDENE]AMINOTHIOUREA, [[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]am
| Molecular Formula | C8H9N3O2S |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04155 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 22043-07-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=NNC(=S)N)O)O |
| InChIKey | WJUCYWPKZJPHEF-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dihydroxybenzylidene)thiosemicarbazide (CAS 22043-07-8), with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol. IUPAC: [(3,4-dihydroxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide
Property Insights of 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide has 4 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-(3,4-Dihydroxybenzylidene)thiosemicarbazide?
The CAS number of 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide is 22043-07-8.
What is the molecular formula of 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide?
The molecular formula of 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide is C8H9N3O2S.
What is the molecular weight of 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide?
The molecular weight of 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide is 211.04 g/mol.
Where can I buy 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide?
You can request a quote for 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxybenzylidene)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.