methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate
TL;DR: methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate (CAS 20979-72-0) is a chemical compound with molecular formula C11H16N2O2S2 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate
Also Known As: N-(p-toluenesulfonyl)-N',N',S-trimethylisothiourea, methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate
| Molecular Formula | C11H16N2O2S2 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.96432 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0653 |
| Heavy Atoms | 17 |
| Complexity | 504.7779 |
Chemical Identifiers
| CAS Number | 20979-72-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C(N(C)C)SC |
Product Overview
methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate (CAS 20979-72-0), with molecular formula C11H16N2O2S2 and molecular weight 272.07 g/mol. IUPAC: methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate.
Chemical Property Profile of methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate
Property Insights of methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate
The XLogP value of 1.96432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate. With a topological polar surface area (TPSA) of 49.74 Ų, methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate has 0 hydrogen bond donor(s) and 3 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 methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The CAS number of methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate is 20979-72-0.
What is the molecular formula of methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The molecular formula of methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate is C11H16N2O2S2.
What is the molecular weight of methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The molecular weight of methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate is 272.07 g/mol.
Where can I buy methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate?
You can request a quote for methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N,N-dimethyl-N'-(4-methylphenyl)sulfonylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.