Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate
TL;DR: Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate (CAS 701950-73-4) is a chemical compound with molecular formula C10H10F3N3O2S and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[3-(trifluoromethyl)phenyl]carbamothioylamino]carbamate
Also Known As: methyl N-[[3-(trifluoromethyl)phenyl]carbamothioylamino]carbamate, methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate, methyl 2-{[3-(trifluoromethyl)phenyl]carbamothioyl}hydrazinecarboxylate, methoxy-N-[(thioxo{[3-(trifluoromethyl)phenyl]amino}methyl)amino]carboxamide
| Molecular Formula | C10H10F3N3O2S |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 2.2628 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.0446 |
| Heavy Atoms | 19 |
| Complexity | 479.33282 |
Chemical Identifiers
| CAS Number | 701950-73-4 |
|---|---|
| SMILES | COC(=O)NNC(=S)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate (CAS 701950-73-4), with molecular formula C10H10F3N3O2S and molecular weight 293.04 g/mol. IUPAC: methyl N-[[3-(trifluoromethyl)phenyl]carbamothioylamino]carbamate.
Chemical Property Profile of Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate
Property Insights of Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate
The XLogP value of 2.2628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate has 3 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 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate?
The CAS number of Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate is 701950-73-4.
What is the molecular formula of Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate?
The molecular formula of Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate is C10H10F3N3O2S.
What is the molecular weight of Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate?
The molecular weight of Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate is 293.04 g/mol.
Where can I buy Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate?
You can request a quote for Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((3-(trifluoromethyl)phenyl)carbamothioyl)hydrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.