1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate
TL;DR: 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate (CAS 76924-18-0) is a chemical compound with molecular formula C9H17NO4S and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-3-yl) N-butylcarbamate
Also Known As: 1,1-dioxidotetrahydrothiophen-3-yl butylcarbamate, BAS 00120529, (1,1-dioxothiolan-3-yl) N-butylcarbamate, 1,1-dioxidotetrahydro-3-thienyl butylcarbamate, N-butyl(1-hydroxy-1-oxothiolan-3-yloxy)carboxamide
| Molecular Formula | C9H17NO4S |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08783 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 76924-18-0 |
|---|---|
| SMILES | CCCCNC(=O)OC1CCS(=O)(=O)C1 |
| InChIKey | OOZSGVSKNLYVOO-UHFFFAOYSA-N |
Product Overview
1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate (CAS 76924-18-0), with molecular formula C9H17NO4S and molecular weight 235.09 g/mol. IUPAC: (1,1-dioxothiolan-3-yl) N-butylcarbamate.
Chemical Property Profile of 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate
Property Insights of 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate. Following Lipinski's Rule of Five, 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate 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 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate?
The CAS number of 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate is 76924-18-0.
What is the molecular formula of 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate?
The molecular formula of 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate is C9H17NO4S.
What is the molecular weight of 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate?
The molecular weight of 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate is 235.09 g/mol.
Where can I buy 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate?
You can request a quote for 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxidotetrahydrothiophen-3-yl butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.