Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate
TL;DR: Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate (CAS 440324-22-1) is a chemical compound with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-methoxyphenyl)carbamothioylamino]thiophene-2-carboxylate
Also Known As: METHYL 3-((((4-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-[(4-methoxyphenyl)carbamothioylamino]thiophene-2-carboxylate, methyl 3-{[(4-methoxyphenyl)carbamothioyl]amino}thiophene-2-carboxylate, Methyl 3-[(4-methoxyphenyl)thiocarbamoylamino]thiophene-2-carboxylate, methyl 3-({[(4-methoxyphenyl)amino]carbonothioyl}amino)thiophene-2-carboxylate
| Molecular Formula | C14H14N2O3S2 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 3.3522 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0446 |
| Heavy Atoms | 21 |
| Complexity | 637.9236 |
Chemical Identifiers
| CAS Number | 440324-22-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NC2=C(SC=C2)C(=O)OC |
Product Overview
Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate (CAS 440324-22-1), with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol. IUPAC: methyl 3-[(4-methoxyphenyl)carbamothioylamino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate
Property Insights of Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate
The XLogP value of 3.3522 indicates that Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate has 2 hydrogen bond donor(s) and 5 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 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate?
The CAS number of Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate is 440324-22-1.
What is the molecular formula of Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate?
The molecular formula of Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate is C14H14N2O3S2.
What is the molecular weight of Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate?
The molecular weight of Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate is 322.04 g/mol.
Where can I buy Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate?
You can request a quote for Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.