S-ethyl 4-ethylsulfonylbenzenecarbothioate
TL;DR: S-ethyl 4-ethylsulfonylbenzenecarbothioate (CAS 92305-02-7) is a chemical compound with molecular formula C11H14O3S2 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 4-ethylsulfonylbenzenecarbothioate
Also Known As: Thioethyl compound, S-ethyl 4-ethylsulfonylbenzenecarbothioate, Ethyl p-(ethyl sulfonyl) thiobenzoate, s-ethyl 4-(ethylsulfonyl)benzenecarbothioate, S-Ethyl 4-(ethanesulfonyl)benzene-1-carbothioate
| Molecular Formula | C11H14O3S2 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.03842 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 92305-02-7 |
|---|---|
| SMILES | CCSC(=O)C1=CC=C(C=C1)S(=O)(=O)CC |
| InChIKey | SAXKFUJMKXSQDT-UHFFFAOYSA-N |
Product Overview
S-ethyl 4-ethylsulfonylbenzenecarbothioate (CAS 92305-02-7), with molecular formula C11H14O3S2 and molecular weight 258.04 g/mol. IUPAC: S-ethyl 4-ethylsulfonylbenzenecarbothioate.
Chemical Property Profile of S-ethyl 4-ethylsulfonylbenzenecarbothioate
Property Insights of S-ethyl 4-ethylsulfonylbenzenecarbothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethyl 4-ethylsulfonylbenzenecarbothioate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S-ethyl 4-ethylsulfonylbenzenecarbothioate. Following Lipinski's Rule of Five, S-ethyl 4-ethylsulfonylbenzenecarbothioate 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 S-ethyl 4-ethylsulfonylbenzenecarbothioate?
The CAS number of S-ethyl 4-ethylsulfonylbenzenecarbothioate is 92305-02-7.
What is the molecular formula of S-ethyl 4-ethylsulfonylbenzenecarbothioate?
The molecular formula of S-ethyl 4-ethylsulfonylbenzenecarbothioate is C11H14O3S2.
What is the molecular weight of S-ethyl 4-ethylsulfonylbenzenecarbothioate?
The molecular weight of S-ethyl 4-ethylsulfonylbenzenecarbothioate is 258.04 g/mol.
Where can I buy S-ethyl 4-ethylsulfonylbenzenecarbothioate?
You can request a quote for S-ethyl 4-ethylsulfonylbenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl 4-ethylsulfonylbenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl 4-ethylsulfonylbenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.