Carbamic acid, dibutylthio-, S-benzyl ester
TL;DR: Carbamic acid, dibutylthio-, S-benzyl ester (CAS 5465-53-2) is a chemical compound with molecular formula C16H25NOS and molecular weight 279.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl N,N-dibutylcarbamothioate
Also Known As: S-Benzyl dibutylthiocarbamate, S-Benzyl dibutylthicarbamate, Benzyl N,N-dibutylthiolcarbamate, s-benzyl dibutylcarbamothioate, S-(Phenylmethyl) dibutylcarbamothioate
| Molecular Formula | C16H25NOS |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 279.16568 |
| Heavy Atoms | 19 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5465-53-2 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)SCC1=CC=CC=C1 |
| InChIKey | LBMGTDVXBJTJHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, dibutylthio-, S-benzyl ester (CAS 5465-53-2), with molecular formula C16H25NOS and molecular weight 279.17 g/mol. IUPAC: S-benzyl N,N-dibutylcarbamothioate.
Chemical Property Profile of Carbamic acid, dibutylthio-, S-benzyl ester
Property Insights of Carbamic acid, dibutylthio-, S-benzyl ester
The XLogP value of 4.7 indicates that Carbamic acid, dibutylthio-, S-benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Carbamic acid, dibutylthio-, S-benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, dibutylthio-, S-benzyl ester has 0 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 Carbamic acid, dibutylthio-, S-benzyl ester?
The CAS number of Carbamic acid, dibutylthio-, S-benzyl ester is 5465-53-2.
What is the molecular formula of Carbamic acid, dibutylthio-, S-benzyl ester?
The molecular formula of Carbamic acid, dibutylthio-, S-benzyl ester is C16H25NOS.
What is the molecular weight of Carbamic acid, dibutylthio-, S-benzyl ester?
The molecular weight of Carbamic acid, dibutylthio-, S-benzyl ester is 279.17 g/mol.
Where can I buy Carbamic acid, dibutylthio-, S-benzyl ester?
You can request a quote for Carbamic acid, dibutylthio-, S-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, dibutylthio-, S-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, dibutylthio-, S-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.