S-(2-aminophenyl) benzenecarbothioate
TL;DR: S-(2-aminophenyl) benzenecarbothioate (CAS 721-49-3) is a chemical compound with molecular formula C13H11NOS and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-aminophenyl) benzenecarbothioate
Also Known As: S-(2-aminophenyl) benzenecarbothioate, Benzenecarbothioic acid, S-(2-aminophenyl) ester
| Molecular Formula | C13H11NOS |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 3.2013 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.05614 |
| Heavy Atoms | 16 |
| Complexity | 496.2956 |
Chemical Identifiers
| CAS Number | 721-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2N |
Product Overview
S-(2-aminophenyl) benzenecarbothioate (CAS 721-49-3), with molecular formula C13H11NOS and molecular weight 229.06 g/mol. IUPAC: S-(2-aminophenyl) benzenecarbothioate.
Chemical Property Profile of S-(2-aminophenyl) benzenecarbothioate
Property Insights of S-(2-aminophenyl) benzenecarbothioate
The XLogP value of 3.2013 indicates that S-(2-aminophenyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, S-(2-aminophenyl) benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-aminophenyl) benzenecarbothioate has 1 hydrogen bond donor(s) and 3 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-(2-aminophenyl) benzenecarbothioate?
The CAS number of S-(2-aminophenyl) benzenecarbothioate is 721-49-3.
What is the molecular formula of S-(2-aminophenyl) benzenecarbothioate?
The molecular formula of S-(2-aminophenyl) benzenecarbothioate is C13H11NOS.
What is the molecular weight of S-(2-aminophenyl) benzenecarbothioate?
The molecular weight of S-(2-aminophenyl) benzenecarbothioate is 229.06 g/mol.
Where can I buy S-(2-aminophenyl) benzenecarbothioate?
You can request a quote for S-(2-aminophenyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-aminophenyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-aminophenyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.