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Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate
TL;DR: Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate (CAS 178675-17-7) is a chemical compound with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(benzoylcarbamothioylamino)thiophene-2-carboxylate
Also Known As: Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate, Methyl 3-(3-benzoylthioureido)thiophene-2-carboxylate, 5971AD, 3M-564S, methyl 3-(benzoylcarbamothioylamino)thiophene-2-carboxylate
| Molecular Formula | C14H12N2O3S2 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 2.6615 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.02893 |
| Heavy Atoms | 21 |
| Complexity | 667.86847 |
Chemical Identifiers
| CAS Number | 178675-17-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate (CAS 178675-17-7), with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol. IUPAC: methyl 3-(benzoylcarbamothioylamino)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate
Property Insights of Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate
The XLogP value of 2.6615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate 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-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate?
The CAS number of Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate is 178675-17-7.
What is the molecular formula of Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate?
The molecular formula of Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate is C14H12N2O3S2.
What is the molecular weight of Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate?
The molecular weight of Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate is 320.03 g/mol.
Where can I buy Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate?
You can request a quote for Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(benzoylamino)carbothioyl]amino}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.