二乙基硫代氨基甲酸S-2-氯烯丙酯
TL;DR: 二乙基硫代氨基甲酸S-2-氯烯丙酯 (CAS 18283-60-8) is a chemical compound with molecular formula C8H14ClNOS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙基硫代氨基甲酸S-2-氯烯丙酯
S-(2-chloroprop-2-enyl) N,N-diethylcarbamothioate
Also Known As: Diethylthiocarbamic acid S-2-chloroallyl ester, 2-Chloroallyl N,N-diethyl thiolcarbamate, 4-04-00-00387 (Beilstein Handbook Reference), CARBAMIC ACID, DIETHYLTHIO-, S-2-CHLOROALLYL ESTER, Diethylthiocarbamic acid S-(2-chloroallyl) ester
| Molecular Formula | C8H14ClNOS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.04846 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 18283-60-8 |
|---|---|
| SMILES | CCN(CC)C(=O)SCC(=C)Cl |
| InChIKey | YJKLHIADBKEDKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二乙基硫代氨基甲酸S-2-氯烯丙酯 (CAS 18283-60-8), with molecular formula C8H14ClNOS and molecular weight 207.05 g/mol. IUPAC: S-(2-chloroprop-2-enyl) N,N-diethylcarbamothioate.
Chemical Property Profile of 二乙基硫代氨基甲酸S-2-氯烯丙酯
Property Insights of 二乙基硫代氨基甲酸S-2-氯烯丙酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙基硫代氨基甲酸S-2-氯烯丙酯. With a topological polar surface area (TPSA) of 45.6 Ų, 二乙基硫代氨基甲酸S-2-氯烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二乙基硫代氨基甲酸S-2-氯烯丙酯 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 二乙基硫代氨基甲酸S-2-氯烯丙酯?
The CAS number of 二乙基硫代氨基甲酸S-2-氯烯丙酯 is 18283-60-8.
What is the molecular formula of 二乙基硫代氨基甲酸S-2-氯烯丙酯?
The molecular formula of 二乙基硫代氨基甲酸S-2-氯烯丙酯 is C8H14ClNOS.
What is the molecular weight of 二乙基硫代氨基甲酸S-2-氯烯丙酯?
The molecular weight of 二乙基硫代氨基甲酸S-2-氯烯丙酯 is 207.05 g/mol.
Where can I buy 二乙基硫代氨基甲酸S-2-氯烯丙酯?
You can request a quote for 二乙基硫代氨基甲酸S-2-氯烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙基硫代氨基甲酸S-2-氯烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 二乙基硫代氨基甲酸S-2-氯烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.