1,2-Benzenedicarbothioic acid, s,s-diphenyl ester
TL;DR: 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester (CAS 42797-33-1) is a chemical compound with molecular formula C20H14O2S2 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,2-S-diphenyl benzene-1,2-dicarbothioate
Also Known As: 1-S,2-S-diphenyl benzene-1,2-dicarbothioate, 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester, J2.908.640K, S~1~,S~2~-diphenyl 1,2-benzenedicarbothioate, S~1~,S~2~-Diphenyl benzene-1,2-dicarbothioate
| Molecular Formula | C20H14O2S2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.04352 |
| Heavy Atoms | 24 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 42797-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)C2=CC=CC=C2C(=O)SC3=CC=CC=C3 |
| InChIKey | DCPRPUDCLMPVAM-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarbothioic acid, s,s-diphenyl ester (CAS 42797-33-1), with molecular formula C20H14O2S2 and molecular weight 350.04 g/mol. IUPAC: 1-S,2-S-diphenyl benzene-1,2-dicarbothioate.
Chemical Property Profile of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester
Property Insights of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester
The XLogP value of 5.8 indicates that 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester 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 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester?
The CAS number of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester is 42797-33-1.
What is the molecular formula of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester?
The molecular formula of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester is C20H14O2S2.
What is the molecular weight of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester?
The molecular weight of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester is 350.04 g/mol.
Where can I buy 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester?
You can request a quote for 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.