2-氯-N,N-二乙基乙硫代酰胺
TL;DR: 2-氯-N,N-二乙基乙硫代酰胺 (CAS 13220-44-5) is a chemical compound with molecular formula C6H12ClNS and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-N,N-二乙基乙硫代酰胺
2-chloro-N,N-diethylethanethioamide
Also Known As: 2-chloro-n,n-diethylethanethioamide, Chloro-N,N-diethylethanethioamide, Ethanethioamide, 2-chloro-N,N-diethyl-, 2-chloro-N,N-diethyl-ethanethioamide
| Molecular Formula | C6H12ClNS |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.0379 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 13220-44-5 |
|---|---|
| SMILES | CCN(CC)C(=S)CCl |
| InChIKey | RMBMUAKALSKBNH-UHFFFAOYSA-N |
Product Overview
2-氯-N,N-二乙基乙硫代酰胺 (CAS 13220-44-5), with molecular formula C6H12ClNS and molecular weight 165.04 g/mol. IUPAC: 2-chloro-N,N-diethylethanethioamide.
Chemical Property Profile of 2-氯-N,N-二乙基乙硫代酰胺
Property Insights of 2-氯-N,N-二乙基乙硫代酰胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-N,N-二乙基乙硫代酰胺. With a topological polar surface area (TPSA) of 35.3 Ų, 2-氯-N,N-二乙基乙硫代酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-N,N-二乙基乙硫代酰胺 has 0 hydrogen bond donor(s) and 1 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 2-氯-N,N-二乙基乙硫代酰胺?
The CAS number of 2-氯-N,N-二乙基乙硫代酰胺 is 13220-44-5.
What is the molecular formula of 2-氯-N,N-二乙基乙硫代酰胺?
The molecular formula of 2-氯-N,N-二乙基乙硫代酰胺 is C6H12ClNS.
What is the molecular weight of 2-氯-N,N-二乙基乙硫代酰胺?
The molecular weight of 2-氯-N,N-二乙基乙硫代酰胺 is 165.04 g/mol.
Where can I buy 2-氯-N,N-二乙基乙硫代酰胺?
You can request a quote for 2-氯-N,N-二乙基乙硫代酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-N,N-二乙基乙硫代酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-N,N-二乙基乙硫代酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.