Carbamothioic acid, butyl-, S-phenyl ester
TL;DR: Carbamothioic acid, butyl-, S-phenyl ester (CAS 4910-31-0) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl N-butylcarbamothioate
Also Known As: S-phenyl butylcarbamothioate, S-phenyl N-butylcarbamothioate, Carbamothioic acid, butyl-, S-phenyl ester, N-butyl-1-phenylsulfanyl-formamide, Carbamothioic acid,butyl-,S-phenyl ester
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 3.2884 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 273.87582 |
Chemical Identifiers
| CAS Number | 4910-31-0 |
|---|---|
| SMILES | CCCCNC(=O)SC1=CC=CC=C1 |
Product Overview
Carbamothioic acid, butyl-, S-phenyl ester (CAS 4910-31-0), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: S-phenyl N-butylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, butyl-, S-phenyl ester
Property Insights of Carbamothioic acid, butyl-, S-phenyl ester
The XLogP value of 3.2884 indicates that Carbamothioic acid, butyl-, S-phenyl 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, Carbamothioic acid, butyl-, S-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, butyl-, S-phenyl ester 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 Carbamothioic acid, butyl-, S-phenyl ester?
The CAS number of Carbamothioic acid, butyl-, S-phenyl ester is 4910-31-0.
What is the molecular formula of Carbamothioic acid, butyl-, S-phenyl ester?
The molecular formula of Carbamothioic acid, butyl-, S-phenyl ester is C11H15NOS.
What is the molecular weight of Carbamothioic acid, butyl-, S-phenyl ester?
The molecular weight of Carbamothioic acid, butyl-, S-phenyl ester is 209.09 g/mol.
Where can I buy Carbamothioic acid, butyl-, S-phenyl ester?
You can request a quote for Carbamothioic acid, butyl-, S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, butyl-, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, butyl-, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.