Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester
TL;DR: Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester (CAS 126560-47-2) is a chemical compound with molecular formula C9H17NOS2 and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-(2-ethenoxyethyl)carbamodithioate
Also Known As: 2-Methylpropyl (2-(ethenyloxy)ethyl)carbamodithioate, Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester, 2-methylpropyl N-(2-ethenoxyethyl)carbamodithioate, 2-Methylpropyl [2-(ethenyloxy)ethyl]carbamodithioate, BRN 3538733
| Molecular Formula | C9H17NOS2 |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.4102 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.07515 |
| Heavy Atoms | 13 |
| Complexity | 159.6937 |
Chemical Identifiers
| CAS Number | 126560-47-2 |
|---|---|
| SMILES | CC(C)CSC(=S)NCCOC=C |
Product Overview
Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester (CAS 126560-47-2), with molecular formula C9H17NOS2 and molecular weight 219.08 g/mol. IUPAC: 2-methylpropyl N-(2-ethenoxyethyl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester
Property Insights of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester
The XLogP value of 2.4102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester. With a topological polar surface area (TPSA) of 21.26 Ų, Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester has 1 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 Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester?
The CAS number of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester is 126560-47-2.
What is the molecular formula of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester?
The molecular formula of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester is C9H17NOS2.
What is the molecular weight of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester?
The molecular weight of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester is 219.08 g/mol.
Where can I buy Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester?
You can request a quote for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.