二丙基硫代氨基甲酸-S-乙酯
TL;DR: 二丙基硫代氨基甲酸-S-乙酯 (CAS 759-94-4) is a chemical compound with molecular formula C9H19NOS and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二丙基硫代氨基甲酸-S-乙酯
S-ethyl N,N-dipropylcarbamothioate
Also Known As: EPTC, Torbin, S-Ethyl dipropylthiocarbamate, EPTAM, Alirox
| Molecular Formula | C9H19NOS |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 189.11873 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
| Boiling Point | 127.2 °C at 20 mmHg |
| Density | 0.955 - Less dense than water; will float |
| Solubility | less than 0.1 mg/mL at 72.5 °F (NTP, 1992) |
| Flash Point | 116 °C (OPEN CUP) |
| Vapor Pressure | 0.034 mmHg at 35.0 °C |
| Refractive Index | 1.4750 @ 30 °C |
Chemical Identifiers
| CAS Number | 759-94-4 |
|---|---|
| SMILES | CCCN(CCC)C(=O)SCC |
| InChIKey | GUVLYNGULCJVDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二丙基硫代氨基甲酸-S-乙酯 (CAS 759-94-4), with molecular formula C9H19NOS and molecular weight 189.12 g/mol. IUPAC: S-ethyl N,N-dipropylcarbamothioate.
Chemical Property Profile of 二丙基硫代氨基甲酸-S-乙酯
Property Insights of 二丙基硫代氨基甲酸-S-乙酯
The XLogP value of 3.2 indicates that 二丙基硫代氨基甲酸-S-乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 二丙基硫代氨基甲酸-S-乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二丙基硫代氨基甲酸-S-乙酯 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 二丙基硫代氨基甲酸-S-乙酯?
The CAS number of 二丙基硫代氨基甲酸-S-乙酯 is 759-94-4.
What is the molecular formula of 二丙基硫代氨基甲酸-S-乙酯?
The molecular formula of 二丙基硫代氨基甲酸-S-乙酯 is C9H19NOS.
What is the molecular weight of 二丙基硫代氨基甲酸-S-乙酯?
The molecular weight of 二丙基硫代氨基甲酸-S-乙酯 is 189.12 g/mol.
Where can I buy 二丙基硫代氨基甲酸-S-乙酯?
You can request a quote for 二丙基硫代氨基甲酸-S-乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二丙基硫代氨基甲酸-S-乙酯?
Yes, KEHONG BIO provides custom synthesis services for 二丙基硫代氨基甲酸-S-乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.