Dimethylthiocarbamate
TL;DR: Dimethylthiocarbamate (CAS 34816-95-0) is a chemical compound with molecular formula C3H7NOS and molecular weight 105.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethylcarbamothioic S-acid
Also Known As: dimethylthiocarbamic acid, Dimethylthiocarbamate, dimethylcarbamothioic S-acid, dimethyl-thiocarbamic acid, N,N-Dimethylthiocarbamic acid
| Molecular Formula | C3H7NOS |
|---|---|
| Molecular Weight | 105.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 105.02483 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 34816-95-0 |
|---|---|
| SMILES | CN(C)C(=O)S |
| InChIKey | ZXSBDSGRQIWJPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylthiocarbamate (CAS 34816-95-0), with molecular formula C3H7NOS and molecular weight 105.02 g/mol. IUPAC: dimethylcarbamothioic S-acid.
Chemical Property Profile of Dimethylthiocarbamate
Property Insights of Dimethylthiocarbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylthiocarbamate. With a topological polar surface area (TPSA) of 21.3 Ų, Dimethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylthiocarbamate 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 Dimethylthiocarbamate?
The CAS number of Dimethylthiocarbamate is 34816-95-0.
What is the molecular formula of Dimethylthiocarbamate?
The molecular formula of Dimethylthiocarbamate is C3H7NOS.
What is the molecular weight of Dimethylthiocarbamate?
The molecular weight of Dimethylthiocarbamate is 105.02 g/mol.
Where can I buy Dimethylthiocarbamate?
You can request a quote for Dimethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Dimethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.