Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate
TL;DR: Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate (CAS 892270-55-2) is a chemical compound with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate
Also Known As: ChemDiv3_008413, IDI1_026323, BRD-K30501631-001-01-1, 3-[(Pyrrolidine-1-carbothioyl)-amino]-thiophene-2-carboxylic acid methyl ester, methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate
| Molecular Formula | C11H14N2O2S2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.3273 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.04968 |
| Heavy Atoms | 17 |
| Complexity | 424.86084 |
Chemical Identifiers
| CAS Number | 892270-55-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=S)N2CCCC2 |
Product Overview
Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate (CAS 892270-55-2), with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol. IUPAC: methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate
Property Insights of Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate
The XLogP value of 2.3273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 41.57 Ų, Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate 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 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate?
The CAS number of Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate is 892270-55-2.
What is the molecular formula of Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate?
The molecular formula of Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate is C11H14N2O2S2.
What is the molecular weight of Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate?
The molecular weight of Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate is 270.05 g/mol.
Where can I buy Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate?
You can request a quote for Methyl 3-(pyrrolidine-1-carbothioylamino)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-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.