Butyl (1,1-dioxothiolan-3-yl) carbonate
TL;DR: Butyl (1,1-dioxothiolan-3-yl) carbonate (CAS 77691-81-7) is a chemical compound with molecular formula C9H16O5S and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (1,1-dioxothiolan-3-yl) carbonate
Also Known As: BAS 00120546, butyl (1,1-dioxothiolan-3-yl) carbonate, butyl 1,1-dioxidotetrahydro-3-thienyl carbonate, Carbonic acid butyl ester 1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
| Molecular Formula | C9H16O5S |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.1268 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07184 |
| Heavy Atoms | 15 |
| Complexity | 308.4644 |
Chemical Identifiers
| CAS Number | 77691-81-7 |
|---|---|
| SMILES | CCCCOC(=O)OC1CCS(=O)(=O)C1 |
Product Overview
Butyl (1,1-dioxothiolan-3-yl) carbonate (CAS 77691-81-7), with molecular formula C9H16O5S and molecular weight 236.07 g/mol. IUPAC: butyl (1,1-dioxothiolan-3-yl) carbonate.
Chemical Property Profile of Butyl (1,1-dioxothiolan-3-yl) carbonate
Property Insights of Butyl (1,1-dioxothiolan-3-yl) carbonate
The XLogP value of 1.1268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (1,1-dioxothiolan-3-yl) carbonate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl (1,1-dioxothiolan-3-yl) carbonate. Following Lipinski's Rule of Five, Butyl (1,1-dioxothiolan-3-yl) carbonate has 0 hydrogen bond donor(s) and 5 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 Butyl (1,1-dioxothiolan-3-yl) carbonate?
The CAS number of Butyl (1,1-dioxothiolan-3-yl) carbonate is 77691-81-7.
What is the molecular formula of Butyl (1,1-dioxothiolan-3-yl) carbonate?
The molecular formula of Butyl (1,1-dioxothiolan-3-yl) carbonate is C9H16O5S.
What is the molecular weight of Butyl (1,1-dioxothiolan-3-yl) carbonate?
The molecular weight of Butyl (1,1-dioxothiolan-3-yl) carbonate is 236.07 g/mol.
Where can I buy Butyl (1,1-dioxothiolan-3-yl) carbonate?
You can request a quote for Butyl (1,1-dioxothiolan-3-yl) carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (1,1-dioxothiolan-3-yl) carbonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (1,1-dioxothiolan-3-yl) carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.