O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate
TL;DR: O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate (CAS 64148-57-8) is a chemical compound with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,4-O-dimethyl benzene-1,4-dicarbothioate
Also Known As: dimethyl dithioterephthalate, O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate, 1-O,4-O-dimethyl benzene-1,4-dicarbothioate, RefChem:367509
| Molecular Formula | C10H10O2S2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.01222 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 64148-57-8 |
|---|---|
| SMILES | COC(=S)C1=CC=C(C=C1)C(=S)OC |
| InChIKey | UCPFTYGLTPVKJN-UHFFFAOYSA-N |
Product Overview
O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate (CAS 64148-57-8), with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol. IUPAC: 1-O,4-O-dimethyl benzene-1,4-dicarbothioate.
Chemical Property Profile of O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate
Property Insights of O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate. Following Lipinski's Rule of Five, O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate 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 O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate?
The CAS number of O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate is 64148-57-8.
What is the molecular formula of O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate?
The molecular formula of O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate is C10H10O2S2.
What is the molecular weight of O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate?
The molecular weight of O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate is 226.01 g/mol.
Where can I buy O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate?
You can request a quote for O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate?
Yes, KEHONG BIO provides custom synthesis services for O~1~,O~4~-Dimethyl benzene-1,4-dicarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.