S-(2-benzoylsulfanylethyl) benzenecarbothioate
TL;DR: S-(2-benzoylsulfanylethyl) benzenecarbothioate (CAS 51290-80-3) is a chemical compound with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-benzoylsulfanylethyl) benzenecarbothioate
Also Known As: 1,2-Bis(benzoylthio)ethane, S-(2-benzoylsulfanylethyl) benzenecarbothioate, Ethylenebis(thio)bis(phenyl ketone), S,S'-ethane-1,2-diyl dibenzothioate, S,S'-ethane-1,2-diyl dibenzenecarbothioate
| Molecular Formula | C16H14O2S2 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.04352 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 51290-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SCCSC(=O)C2=CC=CC=C2 |
| InChIKey | ZZGHXMOIAXIJQA-UHFFFAOYSA-N |
Product Overview
S-(2-benzoylsulfanylethyl) benzenecarbothioate (CAS 51290-80-3), with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol. IUPAC: S-(2-benzoylsulfanylethyl) benzenecarbothioate.
Chemical Property Profile of S-(2-benzoylsulfanylethyl) benzenecarbothioate
Property Insights of S-(2-benzoylsulfanylethyl) benzenecarbothioate
The XLogP value of 4.4 indicates that S-(2-benzoylsulfanylethyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-benzoylsulfanylethyl) benzenecarbothioate. Following Lipinski's Rule of Five, S-(2-benzoylsulfanylethyl) benzenecarbothioate 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-(2-benzoylsulfanylethyl) benzenecarbothioate?
The CAS number of S-(2-benzoylsulfanylethyl) benzenecarbothioate is 51290-80-3.
What is the molecular formula of S-(2-benzoylsulfanylethyl) benzenecarbothioate?
The molecular formula of S-(2-benzoylsulfanylethyl) benzenecarbothioate is C16H14O2S2.
What is the molecular weight of S-(2-benzoylsulfanylethyl) benzenecarbothioate?
The molecular weight of S-(2-benzoylsulfanylethyl) benzenecarbothioate is 302.04 g/mol.
Where can I buy S-(2-benzoylsulfanylethyl) benzenecarbothioate?
You can request a quote for S-(2-benzoylsulfanylethyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-benzoylsulfanylethyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-benzoylsulfanylethyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.