3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate
TL;DR: 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate (CAS 175203-05-1) is a chemical compound with molecular formula C14H19NO3S3 and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
imino-methyl-thiophen-3-yl-λ4-sulfane;2,4,6-trimethylbenzenesulfonic acid
Also Known As: Maybridge1_004756, imino-methyl-thiophen-3-yl-, 3-(methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate, Imino-methyl-thiophen-3-yl-lambda4-sulfane;2,4,6-trimethylbenzenesulfonic acid, Methyl(thiophen-3-yl)-l4-sulfanimine 2,4,6-trimethylbenzenesulfonate
| Molecular Formula | C14H19NO3S3 |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 3.97603 |
| Topological Polar Surface Area | 78.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.0527 |
| Heavy Atoms | 21 |
| Complexity | 711.82477 |
Chemical Identifiers
| CAS Number | 175203-05-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)C1=CSC=C1 |
Product Overview
3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate (CAS 175203-05-1), with molecular formula C14H19NO3S3 and molecular weight 345.05 g/mol. IUPAC: imino-methyl-thiophen-3-yl-λ4-sulfane;2,4,6-trimethylbenzenesulfonic acid.
Chemical Property Profile of 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate
Property Insights of 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate
The XLogP value of 3.97603 indicates that 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate. Following Lipinski's Rule of Five, 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate 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-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate?
The CAS number of 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate is 175203-05-1.
What is the molecular formula of 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate?
The molecular formula of 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate is C14H19NO3S3.
What is the molecular weight of 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate?
The molecular weight of 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate is 345.05 g/mol.
Where can I buy 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate?
You can request a quote for 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfinoimidoyl)thiophene 2,4,6-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.