S-Benzyl diphenylcarbamothioate
TL;DR: S-Benzyl diphenylcarbamothioate (CAS 40088-75-3) is a chemical compound with molecular formula C20H17NOS and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl N,N-diphenylcarbamothioate
Also Known As: S-Benzyl diphenylcarbamothioate, S-benzyl N,N-diphenylcarbamothioate
| Molecular Formula | C20H17NOS |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1031 |
| Heavy Atoms | 23 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 40088-75-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | CWXNFCBXXVJNMB-UHFFFAOYSA-N |
Product Overview
S-Benzyl diphenylcarbamothioate (CAS 40088-75-3), with molecular formula C20H17NOS and molecular weight 319.10 g/mol. IUPAC: S-benzyl N,N-diphenylcarbamothioate.
Chemical Property Profile of S-Benzyl diphenylcarbamothioate
Property Insights of S-Benzyl diphenylcarbamothioate
The XLogP value of 5.3 indicates that S-Benzyl diphenylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-Benzyl diphenylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Benzyl diphenylcarbamothioate has 0 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 S-Benzyl diphenylcarbamothioate?
The CAS number of S-Benzyl diphenylcarbamothioate is 40088-75-3.
What is the molecular formula of S-Benzyl diphenylcarbamothioate?
The molecular formula of S-Benzyl diphenylcarbamothioate is C20H17NOS.
What is the molecular weight of S-Benzyl diphenylcarbamothioate?
The molecular weight of S-Benzyl diphenylcarbamothioate is 319.10 g/mol.
Where can I buy S-Benzyl diphenylcarbamothioate?
You can request a quote for S-Benzyl diphenylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl diphenylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl diphenylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.