![4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid structure](/static/products/2855/285556-33-4.webp)
4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid
TL;DR: 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid (CAS 285556-33-4) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[amino(methylsulfanyl)methylidene]amino]benzoic acid
Also Known As: Benzoicacid,4-[[imino methyl]amino]-, Benzoic acid, 4-[[imino(methylthio)methyl]amino]-, 4-[[amino(methylsulfanyl)methylidene]amino]benzoic acid, 4-{(Z)-[Amino(methylsulfanyl)methylene]amino}benzoic acid, Benzoic acid, 4-[[imino(methylthio)methyl]amino]- (9CI)
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 285556-33-4 |
|---|---|
| SMILES | CSC(=NC1=CC=C(C=C1)C(=O)O)N |
| InChIKey | FSYMKVXVDOXXDR-UHFFFAOYSA-N |
Product Overview
4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid (CAS 285556-33-4), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: 4-[[amino(methylsulfanyl)methylidene]amino]benzoic acid.
Chemical Property Profile of 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid
Property Insights of 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid 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 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid?
The CAS number of 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid is 285556-33-4.
What is the molecular formula of 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid?
The molecular formula of 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid is C9H10N2O2S.
What is the molecular weight of 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid?
The molecular weight of 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid is 210.05 g/mol.
Where can I buy 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid?
You can request a quote for 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[Amino(methylsulfanyl)methylidene]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.