![3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid structure](/static/products/928/92829-52-2.png)
3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid
TL;DR: 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid (CAS 92829-52-2) is a chemical compound with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid
Also Known As: Benzoic acid, 3-[[(aminothioxomethyl)hydrazono]methyl]-2-hydroxy-
| Molecular Formula | C9H9N3O3S |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.03647 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 92829-52-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)O)C=NNC(=S)N |
| InChIKey | NFUMJPZOQVNXEI-UHFFFAOYSA-N |
Product Overview
3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid (CAS 92829-52-2), with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol. IUPAC: 3-[(carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid.
Chemical Property Profile of 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid
Property Insights of 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid. The TPSA of 140.0 Ų indicates high polarity, suggesting 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid has 4 hydrogen bond donor(s) and 5 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 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid?
The CAS number of 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid is 92829-52-2.
What is the molecular formula of 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid?
The molecular formula of 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid is C9H9N3O3S.
What is the molecular weight of 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid?
The molecular weight of 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid is 239.04 g/mol.
Where can I buy 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid?
You can request a quote for 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Carbamothioylhydrazinylidene)methyl]-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.