O-(4-tert-butylphenyl) benzenecarbothioate
TL;DR: O-(4-tert-butylphenyl) benzenecarbothioate (CAS 13522-39-9) is a chemical compound with molecular formula C17H18OS and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-tert-butylphenyl) benzenecarbothioate
Also Known As: O-(4-tert-butylphenyl) benzenecarbothioate
| Molecular Formula | C17H18OS |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.10785 |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 13522-39-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=S)C2=CC=CC=C2 |
| InChIKey | ICFQMGMYPUMAJQ-UHFFFAOYSA-N |
Product Overview
O-(4-tert-butylphenyl) benzenecarbothioate (CAS 13522-39-9), with molecular formula C17H18OS and molecular weight 270.11 g/mol. IUPAC: O-(4-tert-butylphenyl) benzenecarbothioate.
Chemical Property Profile of O-(4-tert-butylphenyl) benzenecarbothioate
Property Insights of O-(4-tert-butylphenyl) benzenecarbothioate
The XLogP value of 5.6 indicates that O-(4-tert-butylphenyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, O-(4-tert-butylphenyl) benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-tert-butylphenyl) benzenecarbothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(4-tert-butylphenyl) benzenecarbothioate?
The CAS number of O-(4-tert-butylphenyl) benzenecarbothioate is 13522-39-9.
What is the molecular formula of O-(4-tert-butylphenyl) benzenecarbothioate?
The molecular formula of O-(4-tert-butylphenyl) benzenecarbothioate is C17H18OS.
What is the molecular weight of O-(4-tert-butylphenyl) benzenecarbothioate?
The molecular weight of O-(4-tert-butylphenyl) benzenecarbothioate is 270.11 g/mol.
Where can I buy O-(4-tert-butylphenyl) benzenecarbothioate?
You can request a quote for O-(4-tert-butylphenyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-tert-butylphenyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-tert-butylphenyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.