2-Chloroprop-2-en-1-yl dimethylcarbamodithioate
TL;DR: 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate (CAS 27849-29-2) is a chemical compound with molecular formula C6H10ClNS2 and molecular weight 194.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroprop-2-enyl N,N-dimethylcarbamodithioate
Also Known As: 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate, 2-chloroprop-2-enyl N,N-dimethylcarbamodithioate
| Molecular Formula | C6H10ClNS2 |
|---|---|
| Molecular Weight | 194.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.99432 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 27849-29-2 |
|---|---|
| SMILES | CN(C)C(=S)SCC(=C)Cl |
| InChIKey | KDGRBFPEDFPHLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroprop-2-en-1-yl dimethylcarbamodithioate (CAS 27849-29-2), with molecular formula C6H10ClNS2 and molecular weight 194.99 g/mol. IUPAC: 2-chloroprop-2-enyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate
Property Insights of 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate. Following Lipinski's Rule of Five, 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate 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 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate?
The CAS number of 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate is 27849-29-2.
What is the molecular formula of 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate?
The molecular formula of 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate is C6H10ClNS2.
What is the molecular weight of 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate?
The molecular weight of 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate is 194.99 g/mol.
Where can I buy 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate?
You can request a quote for 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate 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-en-1-yl dimethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroprop-2-en-1-yl dimethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.