Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate
TL;DR: Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate (CAS 1024572-86-8) is a chemical compound with molecular formula C14H12N2O4S2 and molecular weight 336.02383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate, METHYL 2-(((BENZO[D]1,3-DIOXOLAN-5-YLAMINO)THIOXOMETHYL)AMINO)THIOPHENE-3-CARBOXYLATE, Methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)thioureido)thiophene-3-carboxylate, Methyl 2-(benzo[1,3]dioxol-5-ylthiocarbamoylamino)thiophene-3-carboxylate, methyl 2-{[(2H-1,3-benzodioxol-5-yl)carbamothioyl]amino}thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C14H12N2O4S2 |
| Molecular Weight | 336.02383 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.02383 Da |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
| SMILES | COC(=O)C1=C(SC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3 |
| InChIKey | RGYLLUMQAVYPRE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate
Property Insights of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate
The XLogP value of 3.3 indicates that Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate?
The CAS number of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate is 1024572-86-8.
What is the molecular formula of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate?
The molecular formula of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate is C14H12N2O4S2.
What is the molecular weight of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate?
The molecular weight of Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate is 336.02383 g/mol.
Where can I buy Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate?
You can request a quote for Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.