Amino(benzylthio)methaniminium 4-methylbenzenesulfonate
TL;DR: Amino(benzylthio)methaniminium 4-methylbenzenesulfonate (CAS 35469-22-8) is a chemical compound with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[amino(benzylsulfanyl)methylidene]azanium;4-methylbenzenesulfonate
Also Known As: p-toluenesulphonic acid S-benzylisothiouronium salt, amino(benzylthio)methaniminium 4-methylbenzenesulfonate, [amino(benzylsulfanyl)methylidene]azanium; 4-methylbenzenesulfonate, IUPAC: (amino-benzylsulfanyl-methylidene)azanium; 4-methylbenzenesulfonate
| Molecular Formula | C15H18N2O3S2 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 0.89272 |
| Topological Polar Surface Area | 108.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0759 |
| Heavy Atoms | 22 |
| Complexity | 699.3272 |
Chemical Identifiers
| CAS Number | 35469-22-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CSC(=[NH2+])N |
Product Overview
Amino(benzylthio)methaniminium 4-methylbenzenesulfonate (CAS 35469-22-8), with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol. IUPAC: [amino(benzylsulfanyl)methylidene]azanium;4-methylbenzenesulfonate.
Chemical Property Profile of Amino(benzylthio)methaniminium 4-methylbenzenesulfonate
Property Insights of Amino(benzylthio)methaniminium 4-methylbenzenesulfonate
The XLogP value of 0.89272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amino(benzylthio)methaniminium 4-methylbenzenesulfonate. The TPSA of 108.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Amino(benzylthio)methaniminium 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, Amino(benzylthio)methaniminium 4-methylbenzenesulfonate 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 Amino(benzylthio)methaniminium 4-methylbenzenesulfonate?
The CAS number of Amino(benzylthio)methaniminium 4-methylbenzenesulfonate is 35469-22-8.
What is the molecular formula of Amino(benzylthio)methaniminium 4-methylbenzenesulfonate?
The molecular formula of Amino(benzylthio)methaniminium 4-methylbenzenesulfonate is C15H18N2O3S2.
What is the molecular weight of Amino(benzylthio)methaniminium 4-methylbenzenesulfonate?
The molecular weight of Amino(benzylthio)methaniminium 4-methylbenzenesulfonate is 338.08 g/mol.
Where can I buy Amino(benzylthio)methaniminium 4-methylbenzenesulfonate?
You can request a quote for Amino(benzylthio)methaniminium 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amino(benzylthio)methaniminium 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Amino(benzylthio)methaniminium 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.