S-(Phenylmethyl) benzenecarbothioate
TL;DR: S-(Phenylmethyl) benzenecarbothioate (CAS 13402-51-2) is a chemical compound with molecular formula C14H12OS and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl benzenecarbothioate
Also Known As: Tibenzate, S-Benzyl benzothioate, Tibenzato, Tibenzatum, S-Benzyl benzenecarbothioate
| Molecular Formula | C14H12OS |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.06088 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 13402-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=O)C2=CC=CC=C2 |
| InChIKey | IXTYVGVNWHFZBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(Phenylmethyl) benzenecarbothioate (CAS 13402-51-2), with molecular formula C14H12OS and molecular weight 228.06 g/mol. IUPAC: S-benzyl benzenecarbothioate.
Chemical Property Profile of S-(Phenylmethyl) benzenecarbothioate
Property Insights of S-(Phenylmethyl) benzenecarbothioate
The XLogP value of 3.8 indicates that S-(Phenylmethyl) 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-(Phenylmethyl) benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(Phenylmethyl) 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
Frequently Asked Questions
What is the CAS number of S-(Phenylmethyl) benzenecarbothioate?
The CAS number of S-(Phenylmethyl) benzenecarbothioate is 13402-51-2.
What is the molecular formula of S-(Phenylmethyl) benzenecarbothioate?
The molecular formula of S-(Phenylmethyl) benzenecarbothioate is C14H12OS.
What is the molecular weight of S-(Phenylmethyl) benzenecarbothioate?
The molecular weight of S-(Phenylmethyl) benzenecarbothioate is 228.06 g/mol.
Where can I buy S-(Phenylmethyl) benzenecarbothioate?
You can request a quote for S-(Phenylmethyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(Phenylmethyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(Phenylmethyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.