S-(4-Methylphenyl) benzenecarbothioate
TL;DR: S-(4-Methylphenyl) benzenecarbothioate (CAS 10371-42-3) is a chemical compound with molecular formula C14H12OS and molecular weight 228.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(4-methylphenyl) benzenecarbothioate
Also Known As: S-(4-methylphenyl) benzenecarbothioate, S-(p-Tolyl) thiobenzoate, S-(p-tolyl) benzothioate, Thiobenzoic acid S-(4-methylphenyl), BENZOIC ACID, THIO-, S-(p-TOLYL) ESTER
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12OS |
| Molecular Weight | 228.06088 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06088 Da |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2 |
| InChIKey | KMGHFAGCHUDSMG-UHFFFAOYSA-N |
Chemical Property Profile of S-(4-Methylphenyl) benzenecarbothioate
Property Insights of S-(4-Methylphenyl) benzenecarbothioate
The XLogP value of 4.2 indicates that S-(4-Methylphenyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-(4-Methylphenyl) benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Methylphenyl) benzenecarbothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-(4-Methylphenyl) benzenecarbothioate?
The CAS number of S-(4-Methylphenyl) benzenecarbothioate is 10371-42-3.
What is the molecular formula of S-(4-Methylphenyl) benzenecarbothioate?
The molecular formula of S-(4-Methylphenyl) benzenecarbothioate is C14H12OS.
What is the molecular weight of S-(4-Methylphenyl) benzenecarbothioate?
The molecular weight of S-(4-Methylphenyl) benzenecarbothioate is 228.06088 g/mol.
Where can I buy S-(4-Methylphenyl) benzenecarbothioate?
You can request a quote for S-(4-Methylphenyl) benzenecarbothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(4-Methylphenyl) benzenecarbothioate?
Yes, CoreyChem provides custom synthesis services for S-(4-Methylphenyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.