(1,1-dioxothiolan-3-yl) N-phenylcarbamate
TL;DR: (1,1-dioxothiolan-3-yl) N-phenylcarbamate (CAS 76924-19-1) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-3-yl) N-phenylcarbamate
Also Known As: (1,1-dioxothiolan-3-yl) N-phenylcarbamate, 1,1-dioxidotetrahydro-3-thienyl phenylcarbamate, 1,1-dioxo-3-thiolanyl phenylcarbamate, 1,1-dioxidotetrahydrothiophen-3-yl phenylcarbamate, BAS 00120519
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.4222 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 497.46252 |
Chemical Identifiers
| CAS Number | 76924-19-1 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1OC(=O)NC2=CC=CC=C2 |
Product Overview
(1,1-dioxothiolan-3-yl) N-phenylcarbamate (CAS 76924-19-1), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: (1,1-dioxothiolan-3-yl) N-phenylcarbamate.
Chemical Property Profile of (1,1-dioxothiolan-3-yl) N-phenylcarbamate
Property Insights of (1,1-dioxothiolan-3-yl) N-phenylcarbamate
The XLogP value of 1.4222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-dioxothiolan-3-yl) N-phenylcarbamate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1-dioxothiolan-3-yl) N-phenylcarbamate. Following Lipinski's Rule of Five, (1,1-dioxothiolan-3-yl) N-phenylcarbamate 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-dioxothiolan-3-yl) N-phenylcarbamate?
The CAS number of (1,1-dioxothiolan-3-yl) N-phenylcarbamate is 76924-19-1.
What is the molecular formula of (1,1-dioxothiolan-3-yl) N-phenylcarbamate?
The molecular formula of (1,1-dioxothiolan-3-yl) N-phenylcarbamate is C11H13NO4S.
What is the molecular weight of (1,1-dioxothiolan-3-yl) N-phenylcarbamate?
The molecular weight of (1,1-dioxothiolan-3-yl) N-phenylcarbamate is 255.06 g/mol.
Where can I buy (1,1-dioxothiolan-3-yl) N-phenylcarbamate?
You can request a quote for (1,1-dioxothiolan-3-yl) N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-dioxothiolan-3-yl) N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1,1-dioxothiolan-3-yl) N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.