S-Propyl benzenecarbothioate
TL;DR: S-Propyl benzenecarbothioate (CAS 51469-50-2) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl benzenecarbothioate
Also Known As: S-Propyl benzenecarbothioate, NCIOpen2_000056, S-PROPYL THIOBENZOATE, S-4-nitrophenyl thiobenzoate, Monothiobenzoesaeure-S-propylester
| Molecular Formula | C10H12OS |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.06088 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 51469-50-2 |
|---|---|
| SMILES | CCCSC(=O)C1=CC=CC=C1 |
| InChIKey | YPACPXJQEYROHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Propyl benzenecarbothioate (CAS 51469-50-2), with molecular formula C10H12OS and molecular weight 180.06 g/mol. IUPAC: S-propyl benzenecarbothioate.
Chemical Property Profile of S-Propyl benzenecarbothioate
Property Insights of S-Propyl benzenecarbothioate
The XLogP value of 3.2 indicates that S-Propyl 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-Propyl benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Propyl 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-Propyl benzenecarbothioate?
The CAS number of S-Propyl benzenecarbothioate is 51469-50-2.
What is the molecular formula of S-Propyl benzenecarbothioate?
The molecular formula of S-Propyl benzenecarbothioate is C10H12OS.
What is the molecular weight of S-Propyl benzenecarbothioate?
The molecular weight of S-Propyl benzenecarbothioate is 180.06 g/mol.
Where can I buy S-Propyl benzenecarbothioate?
You can request a quote for S-Propyl benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Propyl benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Propyl benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.