S-ethyl 4-aminobenzenecarbothioate
TL;DR: S-ethyl 4-aminobenzenecarbothioate (CAS 102879-36-7) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 4-aminobenzenecarbothioate
Also Known As: Thioethyl compound, S-ethyl 4-aminobenzenecarbothioate, Ethyl p-amino thiobenzoate, 4-aminophenyl ethylthio ketone, S-Ethyl 4-aminobenzene-1-carbothioate
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 102879-36-7 |
|---|---|
| SMILES | CCSC(=O)C1=CC=C(C=C1)N |
| InChIKey | QLNRHFNYAPBGCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-ethyl 4-aminobenzenecarbothioate (CAS 102879-36-7), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: S-ethyl 4-aminobenzenecarbothioate.
Chemical Property Profile of S-ethyl 4-aminobenzenecarbothioate
Property Insights of S-ethyl 4-aminobenzenecarbothioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethyl 4-aminobenzenecarbothioate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-ethyl 4-aminobenzenecarbothioate. Following Lipinski's Rule of Five, S-ethyl 4-aminobenzenecarbothioate 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-ethyl 4-aminobenzenecarbothioate?
The CAS number of S-ethyl 4-aminobenzenecarbothioate is 102879-36-7.
What is the molecular formula of S-ethyl 4-aminobenzenecarbothioate?
The molecular formula of S-ethyl 4-aminobenzenecarbothioate is C9H11NOS.
What is the molecular weight of S-ethyl 4-aminobenzenecarbothioate?
The molecular weight of S-ethyl 4-aminobenzenecarbothioate is 181.06 g/mol.
Where can I buy S-ethyl 4-aminobenzenecarbothioate?
You can request a quote for S-ethyl 4-aminobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl 4-aminobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl 4-aminobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.