Dimethyldithiocarbamic acid
TL;DR: Dimethyldithiocarbamic acid (CAS 79-45-8) is a chemical compound with molecular formula C3H7NS2 and molecular weight 121.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethylcarbamodithioic acid
Also Known As: Dimethyldithiocarbamic acid, DIMETHYLCARBAMODITHIOIC ACID, Dibam, Dimethyldithiocarbamate, N,N-Dimethyldithiocarbamic acid
| Molecular Formula | C3H7NS2 |
|---|---|
| Molecular Weight | 121.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.00199 |
| Heavy Atoms | 6 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 79-45-8 |
|---|---|
| SMILES | CN(C)C(=S)S |
| InChIKey | MZGNSEAPZQGJRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyldithiocarbamic acid (CAS 79-45-8), with molecular formula C3H7NS2 and molecular weight 121.00 g/mol. IUPAC: dimethylcarbamodithioic acid.
Chemical Property Profile of Dimethyldithiocarbamic acid
Property Insights of Dimethyldithiocarbamic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyldithiocarbamic acid. With a topological polar surface area (TPSA) of 36.3 Ų, Dimethyldithiocarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyldithiocarbamic 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 Dimethyldithiocarbamic acid?
The CAS number of Dimethyldithiocarbamic acid is 79-45-8.
What is the molecular formula of Dimethyldithiocarbamic acid?
The molecular formula of Dimethyldithiocarbamic acid is C3H7NS2.
What is the molecular weight of Dimethyldithiocarbamic acid?
The molecular weight of Dimethyldithiocarbamic acid is 121.00 g/mol.
Where can I buy Dimethyldithiocarbamic acid?
You can request a quote for Dimethyldithiocarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyldithiocarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Dimethyldithiocarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.