O-tert-Butyl phenylcarbamothioate
TL;DR: O-tert-Butyl phenylcarbamothioate (CAS 6328-30-9) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-tert-butyl N-phenylcarbamothioate
Also Known As: O-tert-Butyl phenylcarbamothioate, O-tert-butyl N-phenylcarbamothioate, N-PHENYL(TERT-BUTOXY)CARBOTHIOAMIDE, phenyl-thiocarbamic acid O-tert-butyl ester, N-Phenylthiocarbamic acid O-tert-butyl ester
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 3.1985 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 302.8136 |
Chemical Identifiers
| CAS Number | 6328-30-9 |
|---|---|
| SMILES | CC(C)(C)OC(=S)NC1=CC=CC=C1 |
Product Overview
O-tert-Butyl phenylcarbamothioate (CAS 6328-30-9), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: O-tert-butyl N-phenylcarbamothioate.
Chemical Property Profile of O-tert-Butyl phenylcarbamothioate
Property Insights of O-tert-Butyl phenylcarbamothioate
The XLogP value of 3.1985 indicates that O-tert-Butyl phenylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-tert-Butyl phenylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-tert-Butyl phenylcarbamothioate has 1 hydrogen bond donor(s) and 2 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 O-tert-Butyl phenylcarbamothioate?
The CAS number of O-tert-Butyl phenylcarbamothioate is 6328-30-9.
What is the molecular formula of O-tert-Butyl phenylcarbamothioate?
The molecular formula of O-tert-Butyl phenylcarbamothioate is C11H15NOS.
What is the molecular weight of O-tert-Butyl phenylcarbamothioate?
The molecular weight of O-tert-Butyl phenylcarbamothioate is 209.09 g/mol.
Where can I buy O-tert-Butyl phenylcarbamothioate?
You can request a quote for O-tert-Butyl phenylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-tert-Butyl phenylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-tert-Butyl phenylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.