Diallyldithiocarbamidsaure
TL;DR: Diallyldithiocarbamidsaure (CAS 6556-06-5) is a chemical compound with molecular formula C7H11NS2 and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl)carbamodithioic acid
Also Known As: Diallyldithiocarbamidsaure, Diallyldithiocarbamic acid, N,N-diallyldithiocarbamic acid, diprop-2-en-1-ylcarbamodithioic acid, bis(prop-2-enyl)carbamodithioic acid
| Molecular Formula | C7H11NS2 |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.0333 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 6556-06-5 |
|---|---|
| SMILES | C=CCN(CC=C)C(=S)S |
| InChIKey | DMLWGCMTFMPHHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyldithiocarbamidsaure (CAS 6556-06-5), with molecular formula C7H11NS2 and molecular weight 173.03 g/mol. IUPAC: bis(prop-2-enyl)carbamodithioic acid.
Chemical Property Profile of Diallyldithiocarbamidsaure
Property Insights of Diallyldithiocarbamidsaure
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyldithiocarbamidsaure. With a topological polar surface area (TPSA) of 36.3 Ų, Diallyldithiocarbamidsaure exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyldithiocarbamidsaure 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 Diallyldithiocarbamidsaure?
The CAS number of Diallyldithiocarbamidsaure is 6556-06-5.
What is the molecular formula of Diallyldithiocarbamidsaure?
The molecular formula of Diallyldithiocarbamidsaure is C7H11NS2.
What is the molecular weight of Diallyldithiocarbamidsaure?
The molecular weight of Diallyldithiocarbamidsaure is 173.03 g/mol.
Where can I buy Diallyldithiocarbamidsaure?
You can request a quote for Diallyldithiocarbamidsaure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyldithiocarbamidsaure?
Yes, KEHONG BIO provides custom synthesis services for Diallyldithiocarbamidsaure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.