p-Toluidine, N-methyl-alpha-phenyl-thio-
TL;DR: p-Toluidine, N-methyl-alpha-phenyl-thio- (CAS 13641-21-9) is a chemical compound with molecular formula C14H15NS and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(phenylsulfanylmethyl)aniline
Also Known As: p-Toluidine, N-methyl-alpha-phenyl-thio-, 4-methyl-N-(phenylsulfanylmethyl)aniline
| Molecular Formula | C14H15NS |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.09251 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 13641-21-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCSC2=CC=CC=C2 |
| InChIKey | OZOOYAINEGQENX-UHFFFAOYSA-N |
Product Overview
p-Toluidine, N-methyl-alpha-phenyl-thio- (CAS 13641-21-9), with molecular formula C14H15NS and molecular weight 229.09 g/mol. IUPAC: 4-methyl-N-(phenylsulfanylmethyl)aniline.
Chemical Property Profile of p-Toluidine, N-methyl-alpha-phenyl-thio-
Property Insights of p-Toluidine, N-methyl-alpha-phenyl-thio-
The XLogP value of 4.6 indicates that p-Toluidine, N-methyl-alpha-phenyl-thio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, p-Toluidine, N-methyl-alpha-phenyl-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluidine, N-methyl-alpha-phenyl-thio- has 1 hydrogen bond donor(s) and 2 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 p-Toluidine, N-methyl-alpha-phenyl-thio-?
The CAS number of p-Toluidine, N-methyl-alpha-phenyl-thio- is 13641-21-9.
What is the molecular formula of p-Toluidine, N-methyl-alpha-phenyl-thio-?
The molecular formula of p-Toluidine, N-methyl-alpha-phenyl-thio- is C14H15NS.
What is the molecular weight of p-Toluidine, N-methyl-alpha-phenyl-thio-?
The molecular weight of p-Toluidine, N-methyl-alpha-phenyl-thio- is 229.09 g/mol.
Where can I buy p-Toluidine, N-methyl-alpha-phenyl-thio-?
You can request a quote for p-Toluidine, N-methyl-alpha-phenyl-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluidine, N-methyl-alpha-phenyl-thio-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluidine, N-methyl-alpha-phenyl-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.