Methyl dithiocarbamate
TL;DR: Methyl dithiocarbamate (CAS 16696-83-6) is a chemical compound with molecular formula C2H5NS2 and molecular weight 106.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl carbamodithioate
Also Known As: methyl carbamodithioate, Methyl dithiocarbamate, (methylsulfanyl)carbothioamide, Methyl-dithiocarbamate, Carbamodithioic acid, methyl ester
| Molecular Formula | C2H5NS2 |
|---|---|
| Molecular Weight | 106.99 g/mol |
| LogP | 0.593 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.98634 |
| Heavy Atoms | 5 |
| Complexity | 42.91261 |
Chemical Identifiers
| CAS Number | 16696-83-6 |
|---|---|
| SMILES | CSC(=S)N |
Product Overview
Methyl dithiocarbamate (CAS 16696-83-6), with molecular formula C2H5NS2 and molecular weight 106.99 g/mol. IUPAC: methyl carbamodithioate.
Chemical Property Profile of Methyl dithiocarbamate
Property Insights of Methyl dithiocarbamate
The XLogP value of 0.593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl dithiocarbamate. With a topological polar surface area (TPSA) of 26.02 Ų, Methyl dithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl dithiocarbamate 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 Methyl dithiocarbamate?
The CAS number of Methyl dithiocarbamate is 16696-83-6.
What is the molecular formula of Methyl dithiocarbamate?
The molecular formula of Methyl dithiocarbamate is C2H5NS2.
What is the molecular weight of Methyl dithiocarbamate?
The molecular weight of Methyl dithiocarbamate is 106.99 g/mol.
Where can I buy Methyl dithiocarbamate?
You can request a quote for Methyl dithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl dithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.