己基硫代氨基甲酸-S-苯酯
TL;DR: 己基硫代氨基甲酸-S-苯酯 (CAS 85966-68-3) 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.
己基硫代氨基甲酸-S-苯酯
S-phenyl N-hexylcarbamothioate
Also Known As: S-phenyl N-hexylcarbamothioate, S-Phenyl hexylcarbamothioate, Carbamothioic acid, hexyl-, S-phenyl ester, N-HEXYL-1-PHENYLSULFANYL-FORMAMIDE
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 4.4 |
| 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 | 85966-68-3 |
|---|---|
| SMILES | CCCCCCNC(=O)SC1=CC=CC=C1 |
| InChIKey | HKXZVQLLDVPKEF-UHFFFAOYSA-N |
Product Overview
己基硫代氨基甲酸-S-苯酯 (CAS 85966-68-3), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: S-phenyl N-hexylcarbamothioate.
Chemical Property Profile of 己基硫代氨基甲酸-S-苯酯
Property Insights of 己基硫代氨基甲酸-S-苯酯
The XLogP value of 4.4 indicates that 己基硫代氨基甲酸-S-苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 己基硫代氨基甲酸-S-苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己基硫代氨基甲酸-S-苯酯 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 己基硫代氨基甲酸-S-苯酯?
The CAS number of 己基硫代氨基甲酸-S-苯酯 is 85966-68-3.
What is the molecular formula of 己基硫代氨基甲酸-S-苯酯?
The molecular formula of 己基硫代氨基甲酸-S-苯酯 is C13H19NOS.
What is the molecular weight of 己基硫代氨基甲酸-S-苯酯?
The molecular weight of 己基硫代氨基甲酸-S-苯酯 is 237.12 g/mol.
Where can I buy 己基硫代氨基甲酸-S-苯酯?
You can request a quote for 己基硫代氨基甲酸-S-苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己基硫代氨基甲酸-S-苯酯?
Yes, KEHONG BIO provides custom synthesis services for 己基硫代氨基甲酸-S-苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.