S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate
TL;DR: S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate (CAS 75363-64-3) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate
Also Known As: NCIOpen2_007437, 4-bromoiminocyclohexa-2,5-dien-1-one, Propanoic acid,3-[(3-hydroxypropyl)dithio], s-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate, S-(2,4,6-Trimethylphenyl) 4-nitrobenzene-1-carbothioate
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 75363-64-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | GCIHWBKXTJXORH-UHFFFAOYSA-N |
Product Overview
S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate (CAS 75363-64-3), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate.
Chemical Property Profile of S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate
Property Insights of S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate
The XLogP value of 4.8 indicates that S-(2,4,6-trimethylphenyl) 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-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate. Following Lipinski's Rule of Five, S-(2,4,6-trimethylphenyl) 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-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate?
The CAS number of S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate is 75363-64-3.
What is the molecular formula of S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate?
The molecular formula of S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate is C16H15NO3S.
What is the molecular weight of S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate?
The molecular weight of S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate is 301.08 g/mol.
Where can I buy S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate?
You can request a quote for S-(2,4,6-trimethylphenyl) 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-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.