methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
TL;DR: methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate (CAS 2651-16-3) is a chemical compound with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
Also Known As: 2-methyl-3-tosyl-isothiourea, methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate, S-methyl-N-(toluene-4-sulfonyl)-isothiourea, Methyl N'-(4-methylbenzene-1-sulfonyl)carbamimidothioate, Carbamimidothioic acid, [(4-methylphenyl)sulfonyl]-, methyl ester
| Molecular Formula | C9H12N2O2S2 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.03403 |
| Heavy Atoms | 15 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 2651-16-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C(N)SC |
| InChIKey | ZWAMEGGTEJHAOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate (CAS 2651-16-3), with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol. IUPAC: methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate.
Chemical Property Profile of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
Property Insights of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate. Following Lipinski's Rule of Five, methyl N'-(4-methylphenyl)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-methylphenyl)sulfonylcarbamimidothioate?
The CAS number of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate is 2651-16-3.
What is the molecular formula of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The molecular formula of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate is C9H12N2O2S2.
What is the molecular weight of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The molecular weight of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate is 244.03 g/mol.
Where can I buy methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate?
You can request a quote for methyl 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'-(4-methylphenyl)sulfonylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.