Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester
TL;DR: Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester (CAS 96009-60-8) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(4-phenylbutyl)carbamothioate
Also Known As: S-ethyl (4-phenylbutyl)carbamothioate, Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester, S-ethyl N-(4-phenylbutyl)carbamothioate, 1-ethylsulfanyl-N-(4-phenylbutyl)formamide
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 96009-60-8 |
|---|---|
| SMILES | CCSC(=O)NCCCCC1=CC=CC=C1 |
| InChIKey | BCPYOIJPJFXZIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester (CAS 96009-60-8), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: S-ethyl N-(4-phenylbutyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester
Property Insights of Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester
The XLogP value of 3.5 indicates that Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, (4-phenylbutyl)-, S-ethyl 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, (4-phenylbutyl)-, S-ethyl ester?
The CAS number of Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester is 96009-60-8.
What is the molecular formula of Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester?
The molecular formula of Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester is C13H19NOS.
What is the molecular weight of Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester?
The molecular weight of Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester is 237.12 g/mol.
Where can I buy Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester?
You can request a quote for Carbamothioic acid, (4-phenylbutyl)-, S-ethyl 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, (4-phenylbutyl)-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (4-phenylbutyl)-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.