Benzoic acid, 4,4'-thiobis-, dimethyl ester
TL;DR: Benzoic acid, 4,4'-thiobis-, dimethyl ester (CAS 14387-31-6) is a chemical compound with molecular formula C16H14O4S and molecular weight 302.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(4-methoxycarbonylphenyl)sulfanylbenzoate
Also Known As: Dimethyl 4,4'-sulfanediyldibenzoate, Benzoic acid, 4,4'-thiobis-, dimethyl ester, 4,4 -Thiobis(benzoic acid methyl) ester, J1.355.719E, Methyl 4-(4-methoxycarbonylphenyl)sulfanylbenzoate
Technical Specifications
| Molecular Formula | C16H14O4S |
| Molecular Weight | 302.06128 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.06128 Da |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)OC |
| InChIKey | TYABUYDBJUMHCY-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4,4'-thiobis-, dimethyl ester
Property Insights of Benzoic acid, 4,4'-thiobis-, dimethyl ester
The XLogP value of 4.3 indicates that Benzoic acid, 4,4'-thiobis-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4,4'-thiobis-, dimethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4,4'-thiobis-, dimethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4,4'-thiobis-, dimethyl ester?
The CAS number of Benzoic acid, 4,4'-thiobis-, dimethyl ester is 14387-31-6.
What is the molecular formula of Benzoic acid, 4,4'-thiobis-, dimethyl ester?
The molecular formula of Benzoic acid, 4,4'-thiobis-, dimethyl ester is C16H14O4S.
What is the molecular weight of Benzoic acid, 4,4'-thiobis-, dimethyl ester?
The molecular weight of Benzoic acid, 4,4'-thiobis-, dimethyl ester is 302.06128 g/mol.
Where can I buy Benzoic acid, 4,4'-thiobis-, dimethyl ester?
You can request a quote for Benzoic acid, 4,4'-thiobis-, dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4,4'-thiobis-, dimethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4,4'-thiobis-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.