Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester
TL;DR: Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester (CAS 67191-69-9) is a chemical compound with molecular formula C28H25NOS and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-trityl N-(2-ethylphenyl)carbamothioate
Also Known As: EthylN-phenyl-S-tritylisothiocarbamate, O-Ethyl S-(triphenylmethyl) phenylcarbonimidothioate, S-trityl N-(2-ethylphenyl)carbamothioate, Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester, S-Triphenylmethyl (2-ethylphenyl)carbamothioate
| Molecular Formula | C28H25NOS |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 7.5062 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.16568 |
| Heavy Atoms | 31 |
| Complexity | 1030.6287 |
Chemical Identifiers
| CAS Number | 67191-69-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester (CAS 67191-69-9), with molecular formula C28H25NOS and molecular weight 423.17 g/mol. IUPAC: S-trityl N-(2-ethylphenyl)carbamothioate.
Chemical Property Profile of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester
Property Insights of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester
The XLogP value of 7.5062 indicates that Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester?
The CAS number of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester is 67191-69-9.
What is the molecular formula of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester?
The molecular formula of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester is C28H25NOS.
What is the molecular weight of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester?
The molecular weight of Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester is 423.17 g/mol.
Where can I buy Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester?
You can request a quote for Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonimidothioic acid, phenyl-, O-ethyl S-(triphenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.