Di-(isobutyl)dithiocarbamic acid
TL;DR: Di-(isobutyl)dithiocarbamic acid (CAS 7283-77-4) is a chemical compound with molecular formula C9H19NS2 and molecular weight 205.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl)carbamodithioic acid
Also Known As: Di-(isobutyl)dithiocarbamic acid, Diisobutyl dithiocarbamate, Di(isobutyl)dithiocarbamic acid, bis(2-methylpropyl)carbamodithioic acid, Diisobutyldithiocarbamic acid
| Molecular Formula | C9H19NS2 |
|---|---|
| Molecular Weight | 205.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.09589 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 7283-77-4 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=S)S |
| InChIKey | CBQPQMSTIARRSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-(isobutyl)dithiocarbamic acid (CAS 7283-77-4), with molecular formula C9H19NS2 and molecular weight 205.10 g/mol. IUPAC: bis(2-methylpropyl)carbamodithioic acid.
Chemical Property Profile of Di-(isobutyl)dithiocarbamic acid
Property Insights of Di-(isobutyl)dithiocarbamic acid
The XLogP value of 3.6 indicates that Di-(isobutyl)dithiocarbamic 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, Di-(isobutyl)dithiocarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-(isobutyl)dithiocarbamic acid 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 Di-(isobutyl)dithiocarbamic acid?
The CAS number of Di-(isobutyl)dithiocarbamic acid is 7283-77-4.
What is the molecular formula of Di-(isobutyl)dithiocarbamic acid?
The molecular formula of Di-(isobutyl)dithiocarbamic acid is C9H19NS2.
What is the molecular weight of Di-(isobutyl)dithiocarbamic acid?
The molecular weight of Di-(isobutyl)dithiocarbamic acid is 205.10 g/mol.
Where can I buy Di-(isobutyl)dithiocarbamic acid?
You can request a quote for Di-(isobutyl)dithiocarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-(isobutyl)dithiocarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Di-(isobutyl)dithiocarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.