s-Naphthalen-2-yl 4-nitrobenzenecarbothioate
TL;DR: s-Naphthalen-2-yl 4-nitrobenzenecarbothioate (CAS 7494-26-0) is a chemical compound with molecular formula C17H11NO3S and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-naphthalen-2-yl 4-nitrobenzenecarbothioate
Also Known As: NCIOpen2_007670, s-naphthalen-2-yl 4-nitrobenzenecarbothioate, 4-Nitrothiobenzoic acid S-(2-naphthyl) ester, J2.105.273F, S-(Naphthalen-2-yl) 4-nitrobenzene-1-carbothioate
| Molecular Formula | C17H11NO3S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.04596 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 7494-26-0 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | RODSKYWDDTXFIC-UHFFFAOYSA-N |
Product Overview
s-Naphthalen-2-yl 4-nitrobenzenecarbothioate (CAS 7494-26-0), with molecular formula C17H11NO3S and molecular weight 309.05 g/mol. IUPAC: S-naphthalen-2-yl 4-nitrobenzenecarbothioate.
Chemical Property Profile of s-Naphthalen-2-yl 4-nitrobenzenecarbothioate
Property Insights of s-Naphthalen-2-yl 4-nitrobenzenecarbothioate
The XLogP value of 5.0 indicates that s-Naphthalen-2-yl 4-nitrobenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Naphthalen-2-yl 4-nitrobenzenecarbothioate. Following Lipinski's Rule of Five, s-Naphthalen-2-yl 4-nitrobenzenecarbothioate 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 s-Naphthalen-2-yl 4-nitrobenzenecarbothioate?
The CAS number of s-Naphthalen-2-yl 4-nitrobenzenecarbothioate is 7494-26-0.
What is the molecular formula of s-Naphthalen-2-yl 4-nitrobenzenecarbothioate?
The molecular formula of s-Naphthalen-2-yl 4-nitrobenzenecarbothioate is C17H11NO3S.
What is the molecular weight of s-Naphthalen-2-yl 4-nitrobenzenecarbothioate?
The molecular weight of s-Naphthalen-2-yl 4-nitrobenzenecarbothioate is 309.05 g/mol.
Where can I buy s-Naphthalen-2-yl 4-nitrobenzenecarbothioate?
You can request a quote for s-Naphthalen-2-yl 4-nitrobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Naphthalen-2-yl 4-nitrobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for s-Naphthalen-2-yl 4-nitrobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.