Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate
TL;DR: Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate (CAS 84703-35-5) is a chemical compound with molecular formula C6H9NO4S and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate
Also Known As: methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate, methyl (1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamate, methyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate, N-(1-hydroxy-1-oxo(3-2,3-dihydrothienyl))methoxycarboxamide
| Molecular Formula | C6H9NO4S |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | -0.3469 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.02522 |
| Heavy Atoms | 12 |
| Complexity | 305.50977 |
Chemical Identifiers
| CAS Number | 84703-35-5 |
|---|---|
| SMILES | COC(=O)NC1CS(=O)(=O)C=C1 |
Product Overview
Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate (CAS 84703-35-5), with molecular formula C6H9NO4S and molecular weight 191.03 g/mol. IUPAC: methyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate.
Chemical Property Profile of Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate
Property Insights of Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate
The XLogP value of -0.3469 indicates that Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate. Following Lipinski's Rule of Five, Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate 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 1,1-dioxido-2,3-dihydro-3-thienylcarbamate?
The CAS number of Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate is 84703-35-5.
What is the molecular formula of Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate?
The molecular formula of Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate is C6H9NO4S.
What is the molecular weight of Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate?
The molecular weight of Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate is 191.03 g/mol.
Where can I buy Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate?
You can request a quote for Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,1-dioxido-2,3-dihydro-3-thienylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.