Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
TL;DR: Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate (CAS 294668-92-1) is a chemical compound with molecular formula C8H13NO4S and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-(1,1-dioxothiolan-3-yl)carbamate
Also Known As: BAS 00120554, allyl (1,1-dioxidotetrahydro-3-thienyl)carbamate, prop-2-enyl N-(1,1-dioxothiolan-3-yl)carbamate, N-(1,1-dioxothiolan-3-yl)prop-2-enyloxycarboxamide, prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
| Molecular Formula | C8H13NO4S |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 0.0857 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05653 |
| Heavy Atoms | 14 |
| Complexity | 322.23297 |
Chemical Identifiers
| CAS Number | 294668-92-1 |
|---|---|
| SMILES | C=CCOC(=O)NC1CCS(=O)(=O)C1 |
Product Overview
Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate (CAS 294668-92-1), with molecular formula C8H13NO4S and molecular weight 219.06 g/mol. IUPAC: prop-2-enyl N-(1,1-dioxothiolan-3-yl)carbamate.
Chemical Property Profile of Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
Property Insights of Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
The XLogP value of 0.0857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate. Following Lipinski's Rule of Five, Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-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 Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
The CAS number of Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate is 294668-92-1.
What is the molecular formula of Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
The molecular formula of Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate is C8H13NO4S.
What is the molecular weight of Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
The molecular weight of Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate is 219.06 g/mol.
Where can I buy Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
You can request a quote for Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-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 Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-en-1-yl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.