S-phenyl N-benzylcarbamothioate
TL;DR: S-phenyl N-benzylcarbamothioate (CAS 72024-41-0) is a chemical compound with molecular formula C14H13NOS and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl N-benzylcarbamothioate
Also Known As: S-phenyl N-benzylcarbamothioate, S-phenyl benzylcarbamothioate, Benzylthiocarbamic acid S-phenyl ester, N-BENZYL-1-(PHENYLSULFANYL)FORMAMIDE, J3.527.212G
| Molecular Formula | C14H13NOS |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.0718 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 72024-41-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)SC2=CC=CC=C2 |
| InChIKey | XOMBNXRPHRHRSA-UHFFFAOYSA-N |
Product Overview
S-phenyl N-benzylcarbamothioate (CAS 72024-41-0), with molecular formula C14H13NOS and molecular weight 243.07 g/mol. IUPAC: S-phenyl N-benzylcarbamothioate.
Chemical Property Profile of S-phenyl N-benzylcarbamothioate
Property Insights of S-phenyl N-benzylcarbamothioate
The XLogP value of 3.5 indicates that S-phenyl N-benzylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-phenyl N-benzylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl N-benzylcarbamothioate has 1 hydrogen bond donor(s) and 2 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-phenyl N-benzylcarbamothioate?
The CAS number of S-phenyl N-benzylcarbamothioate is 72024-41-0.
What is the molecular formula of S-phenyl N-benzylcarbamothioate?
The molecular formula of S-phenyl N-benzylcarbamothioate is C14H13NOS.
What is the molecular weight of S-phenyl N-benzylcarbamothioate?
The molecular weight of S-phenyl N-benzylcarbamothioate is 243.07 g/mol.
Where can I buy S-phenyl N-benzylcarbamothioate?
You can request a quote for S-phenyl N-benzylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl N-benzylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl N-benzylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.