Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
TL;DR: Benzenecarbothioic acid, 4-nitro-, S-ethyl ester (CAS 24524-95-6) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 4-nitrobenzenecarbothioate
Also Known As: (p-NO2Ph)COS(Et), S-(p-Nitrobenzoyl)mercaptoethane, S-ethyl 4-nitrobenzothioate, S-ethyl 4-nitrobenzenecarbothioate, Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 2.4881 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 347.57962 |
Chemical Identifiers
| CAS Number | 24524-95-6 |
|---|---|
| SMILES | CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzenecarbothioic acid, 4-nitro-, S-ethyl ester (CAS 24524-95-6), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: S-ethyl 4-nitrobenzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
Property Insights of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
The XLogP value of 2.4881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioic acid, 4-nitro-, S-ethyl ester. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarbothioic acid, 4-nitro-, S-ethyl ester. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 4-nitro-, S-ethyl ester has 0 hydrogen bond donor(s) and 4 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 Benzenecarbothioic acid, 4-nitro-, S-ethyl ester?
The CAS number of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester is 24524-95-6.
What is the molecular formula of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester?
The molecular formula of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester is C9H9NO3S.
What is the molecular weight of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester?
The molecular weight of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester is 211.03 g/mol.
Where can I buy Benzenecarbothioic acid, 4-nitro-, S-ethyl ester?
You can request a quote for Benzenecarbothioic acid, 4-nitro-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, 4-nitro-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, 4-nitro-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.