1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester
TL;DR: 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester (CAS 42797-34-2) is a chemical compound with molecular formula C22H18O2S2 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,2-S-bis(4-methylphenyl) benzene-1,2-dicarbothioate
Also Known As: 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester, 1-S,2-S-bis(4-methylphenyl) benzene-1,2-dicarbothioate, S~1~,S~2~-Bis(4-methylphenyl) benzene-1,2-dicarbothioate
| Molecular Formula | C22H18O2S2 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.07483 |
| Heavy Atoms | 26 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 42797-34-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2C(=O)SC3=CC=C(C=C3)C |
| InChIKey | PJTJLEHSUJHWEZ-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester (CAS 42797-34-2), with molecular formula C22H18O2S2 and molecular weight 378.07 g/mol. IUPAC: 1-S,2-S-bis(4-methylphenyl) benzene-1,2-dicarbothioate.
Chemical Property Profile of 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester
Property Insights of 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester
The XLogP value of 6.6 indicates that 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)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-bis(4-methylphenyl)ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)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-bis(4-methylphenyl)ester?
The CAS number of 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester is 42797-34-2.
What is the molecular formula of 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester?
The molecular formula of 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester is C22H18O2S2.
What is the molecular weight of 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester?
The molecular weight of 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester is 378.07 g/mol.
Where can I buy 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester?
You can request a quote for 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)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-bis(4-methylphenyl)ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarbothioic acid S,S-bis(4-methylphenyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.