![S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate structure](/static/products/6967/69672-58-8.webp)
S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate
TL;DR: S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate (CAS 69672-58-8) is a chemical compound with molecular formula C16H14ClNO2S and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate
Also Known As: S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate, S-(2-{[(4-Chlorophenyl)methyl]carbamoyl}phenyl) ethanethioate
| Molecular Formula | C16H14ClNO2S |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.04337 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 69672-58-8 |
|---|---|
| SMILES | CC(=O)SC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)Cl |
| InChIKey | JMBMJLPJZJJFFY-UHFFFAOYSA-N |
Product Overview
S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate (CAS 69672-58-8), with molecular formula C16H14ClNO2S and molecular weight 319.04 g/mol. IUPAC: S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate.
Chemical Property Profile of S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate
Property Insights of S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate
The XLogP value of 3.6 indicates that S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate. Following Lipinski's Rule of Five, S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate has 1 hydrogen bond donor(s) and 3 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 S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate?
The CAS number of S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate is 69672-58-8.
What is the molecular formula of S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate?
The molecular formula of S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate is C16H14ClNO2S.
What is the molecular weight of S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate?
The molecular weight of S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate is 319.04 g/mol.
Where can I buy S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate?
You can request a quote for S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.