Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 105544-62-5) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-Thioureido-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester, Benzo[b]thiophene-3-carboxylicacid, 2-[(aminothioxomethyl)amino]-4,5,6,7-tetrahydro-, ethyl ester, Ethyl 2-[(aminothioxomethyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Ethyl2-thioureido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C12H16N2O2S2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0653 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 105544-62-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N |
| InChIKey | QIZMMLSECPIAHV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 105544-62-5), with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol. IUPAC: ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.1 indicates that Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 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 Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 105544-62-5.
What is the molecular formula of Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C12H16N2O2S2.
What is the molecular weight of Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 284.07 g/mol.
Where can I buy Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.