methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate
TL;DR: methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate (CAS 185674-97-9) is a chemical compound with molecular formula C12H18N2O3S2 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate
Also Known As: Mtr-S-methylisothiourea, methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate, Methyl N'-(4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl)carbamimidothioate
| Molecular Formula | C12H18N2O3S2 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 1.98686 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0759 |
| Heavy Atoms | 19 |
| Complexity | 622.3519 |
Chemical Identifiers
| CAS Number | 185674-97-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1S(=O)(=O)N=C(N)SC)C)C)OC |
Product Overview
methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate (CAS 185674-97-9), with molecular formula C12H18N2O3S2 and molecular weight 302.08 g/mol. IUPAC: methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate.
Chemical Property Profile of methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate
Property Insights of methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate
The XLogP value of 1.98686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate. Following Lipinski's Rule of Five, methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate has 1 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 methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate?
The CAS number of methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate is 185674-97-9.
What is the molecular formula of methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate?
The molecular formula of methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate is C12H18N2O3S2.
What is the molecular weight of methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate?
The molecular weight of methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate is 302.08 g/mol.
Where can I buy methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate?
You can request a quote for methyl N'-(4-methoxy-2,3,6-trimethylphenyl)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'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.