3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid
TL;DR: 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid (CAS 93841-11-3) is a chemical compound with molecular formula C11H16N2O3S2 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N'-(2-methylphenyl)carbamimidoyl]sulfanylpropane-1-sulfonic acid
Also Known As: EINECS 298-981-5, Benzyltriphenylphosphonium phenolate, 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid, 3-[[imino(methylphenylamino)methyl]thio]propanesulphonic acid, 3-((N-Methyl-N-phenylcarbamimidoyl)thio)propane-1-sulfonic acid
| Molecular Formula | C11H16N2O3S2 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 1.95232 |
| Topological Polar Surface Area | 92.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.06024 |
| Heavy Atoms | 18 |
| Complexity | 526.8448 |
Chemical Identifiers
| CAS Number | 93841-11-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N=C(N)SCCCS(=O)(=O)O |
Product Overview
3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid (CAS 93841-11-3), with molecular formula C11H16N2O3S2 and molecular weight 288.06 g/mol. IUPAC: 3-[N'-(2-methylphenyl)carbamimidoyl]sulfanylpropane-1-sulfonic acid.
Chemical Property Profile of 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid
Property Insights of 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid
The XLogP value of 1.95232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid. The TPSA of 92.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid. Following Lipinski's Rule of Five, 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic 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 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid?
The CAS number of 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid is 93841-11-3.
What is the molecular formula of 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid?
The molecular formula of 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid is C11H16N2O3S2.
What is the molecular weight of 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid?
The molecular weight of 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid is 288.06 g/mol.
Where can I buy 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid?
You can request a quote for 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Imino(methylphenylamino)methyl)thio)propanesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.