1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone
TL;DR: 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone (CAS 6301-72-0) is a chemical compound with molecular formula C16H14O3S and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-phenylmethoxycarbothioyloxyphenyl)ethanone
Also Known As: 1-(4-phenylmethoxycarbothioyloxyphenyl)ethanone, o-(4-acetylphenyl) o-benzyl carbonothioate
| Molecular Formula | C16H14O3S |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.06638 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 6301-72-0 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=S)OCC2=CC=CC=C2 |
| InChIKey | YUVGPOPSZXXDLU-UHFFFAOYSA-N |
Product Overview
1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone (CAS 6301-72-0), with molecular formula C16H14O3S and molecular weight 286.07 g/mol. IUPAC: 1-(4-phenylmethoxycarbothioyloxyphenyl)ethanone.
Chemical Property Profile of 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone
Property Insights of 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone
The XLogP value of 3.9 indicates that 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone has 0 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-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone?
The CAS number of 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone is 6301-72-0.
What is the molecular formula of 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone?
The molecular formula of 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone is C16H14O3S.
What is the molecular weight of 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone?
The molecular weight of 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone is 286.07 g/mol.
Where can I buy 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone?
You can request a quote for 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Phenylmethoxycarbothioyloxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.