Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate
TL;DR: Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate (CAS 55212-69-6) is a chemical compound with molecular formula C7H11NO4S and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate
Also Known As: ChemDiv3_004109, ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate, BAS 00617522, IDI1_022019, BRD-A82606100-001-01-9
| Molecular Formula | C7H11NO4S |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.04088 |
| Heavy Atoms | 13 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 55212-69-6 |
|---|---|
| SMILES | CCOC(=O)NC1CS(=O)(=O)C=C1 |
| InChIKey | YBCQPYAIFHHIKE-UHFFFAOYSA-N |
Product Overview
Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate (CAS 55212-69-6), with molecular formula C7H11NO4S and molecular weight 205.04 g/mol. IUPAC: ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate.
Chemical Property Profile of Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate
Property Insights of Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate
The XLogP value of -0.3 indicates that Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate. Following Lipinski's Rule of Five, Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate 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 Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate?
The CAS number of Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate is 55212-69-6.
What is the molecular formula of Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate?
The molecular formula of Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate is C7H11NO4S.
What is the molecular weight of Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate?
The molecular weight of Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate is 205.04 g/mol.
Where can I buy Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate?
You can request a quote for Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.