Dioctylcarbamodithioic acid
TL;DR: Dioctylcarbamodithioic acid (CAS 62796-30-9) is a chemical compound with molecular formula C17H35NS2 and molecular weight 317.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctylcarbamodithioic acid
Also Known As: dioctylcarbamodithioic acid, Dioctyldithiocarbamic acid, dioctylcarbamodithioicacid, Carbamodithioic acid,dioctyl, Carbamodithioic acid, dioctyl-
| Molecular Formula | C17H35NS2 |
|---|---|
| Molecular Weight | 317.22 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 317.2211 |
| Heavy Atoms | 20 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 62796-30-9 |
|---|---|
| SMILES | CCCCCCCCN(CCCCCCCC)C(=S)S |
| InChIKey | MGJYZNJAQSLHOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioctylcarbamodithioic acid (CAS 62796-30-9), with molecular formula C17H35NS2 and molecular weight 317.22 g/mol. IUPAC: dioctylcarbamodithioic acid.
Chemical Property Profile of Dioctylcarbamodithioic acid
Property Insights of Dioctylcarbamodithioic acid
The XLogP value of 7.7 indicates that Dioctylcarbamodithioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, Dioctylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctylcarbamodithioic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dioctylcarbamodithioic acid?
The CAS number of Dioctylcarbamodithioic acid is 62796-30-9.
What is the molecular formula of Dioctylcarbamodithioic acid?
The molecular formula of Dioctylcarbamodithioic acid is C17H35NS2.
What is the molecular weight of Dioctylcarbamodithioic acid?
The molecular weight of Dioctylcarbamodithioic acid is 317.22 g/mol.
Where can I buy Dioctylcarbamodithioic acid?
You can request a quote for Dioctylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Dioctylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.