2-Chloroprop-2-enyl morpholine-4-carbodithioate
TL;DR: 2-Chloroprop-2-enyl morpholine-4-carbodithioate (CAS 51647-77-9) is a chemical compound with molecular formula C8H12ClNOS2 and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroprop-2-enyl morpholine-4-carbodithioate
Also Known As: 2-chloroprop-2-enyl morpholine-4-carbodithioate, 2-Chloroprop-2-en-1-yl morpholine-4-carbodithioate
| Molecular Formula | C8H12ClNOS2 |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.00488 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 51647-77-9 |
|---|---|
| SMILES | C=C(CSC(=S)N1CCOCC1)Cl |
| InChIKey | BPKHQHSCTVBYKQ-UHFFFAOYSA-N |
Product Overview
2-Chloroprop-2-enyl morpholine-4-carbodithioate (CAS 51647-77-9), with molecular formula C8H12ClNOS2 and molecular weight 237.00 g/mol. IUPAC: 2-chloroprop-2-enyl morpholine-4-carbodithioate.
Chemical Property Profile of 2-Chloroprop-2-enyl morpholine-4-carbodithioate
Property Insights of 2-Chloroprop-2-enyl morpholine-4-carbodithioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroprop-2-enyl morpholine-4-carbodithioate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroprop-2-enyl morpholine-4-carbodithioate. Following Lipinski's Rule of Five, 2-Chloroprop-2-enyl morpholine-4-carbodithioate has 0 hydrogen bond donor(s) and 3 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-Chloroprop-2-enyl morpholine-4-carbodithioate?
The CAS number of 2-Chloroprop-2-enyl morpholine-4-carbodithioate is 51647-77-9.
What is the molecular formula of 2-Chloroprop-2-enyl morpholine-4-carbodithioate?
The molecular formula of 2-Chloroprop-2-enyl morpholine-4-carbodithioate is C8H12ClNOS2.
What is the molecular weight of 2-Chloroprop-2-enyl morpholine-4-carbodithioate?
The molecular weight of 2-Chloroprop-2-enyl morpholine-4-carbodithioate is 237.00 g/mol.
Where can I buy 2-Chloroprop-2-enyl morpholine-4-carbodithioate?
You can request a quote for 2-Chloroprop-2-enyl morpholine-4-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroprop-2-enyl morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroprop-2-enyl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.