prop-2-enyl N-methylcarbamodithioate
TL;DR: prop-2-enyl N-methylcarbamodithioate (CAS 13037-12-2) is a chemical compound with molecular formula C5H9NS2 and molecular weight 147.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-methylcarbamodithioate
Also Known As: prop-2-enyl N-methylcarbamodithioate, Prop-2-en-1-yl methylcarbamodithioate
| Molecular Formula | C5H9NS2 |
|---|---|
| Molecular Weight | 147.02 g/mol |
| LogP | 1.4099 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.01764 |
| Heavy Atoms | 8 |
| Complexity | 90.42946 |
Chemical Identifiers
| CAS Number | 13037-12-2 |
|---|---|
| SMILES | CNC(=S)SCC=C |
Product Overview
prop-2-enyl N-methylcarbamodithioate (CAS 13037-12-2), with molecular formula C5H9NS2 and molecular weight 147.02 g/mol. IUPAC: prop-2-enyl N-methylcarbamodithioate.
Chemical Property Profile of prop-2-enyl N-methylcarbamodithioate
Property Insights of prop-2-enyl N-methylcarbamodithioate
The XLogP value of 1.4099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for prop-2-enyl N-methylcarbamodithioate. With a topological polar surface area (TPSA) of 12.03 Ų, prop-2-enyl N-methylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, prop-2-enyl N-methylcarbamodithioate has 1 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 prop-2-enyl N-methylcarbamodithioate?
The CAS number of prop-2-enyl N-methylcarbamodithioate is 13037-12-2.
What is the molecular formula of prop-2-enyl N-methylcarbamodithioate?
The molecular formula of prop-2-enyl N-methylcarbamodithioate is C5H9NS2.
What is the molecular weight of prop-2-enyl N-methylcarbamodithioate?
The molecular weight of prop-2-enyl N-methylcarbamodithioate is 147.02 g/mol.
Where can I buy prop-2-enyl N-methylcarbamodithioate?
You can request a quote for prop-2-enyl N-methylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for prop-2-enyl N-methylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-enyl N-methylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.