Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester
TL;DR: Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester (CAS 53636-51-4) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(2-cyano-3-pyridinyl)] N,N-dimethylcarbamothioate
Also Known As: O-(2-Cyano-3-pyridinyl) dimethylcarbamothioate, Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester, 5-22-05-00091 (Beilstein Handbook Reference), 3-dimethylthiocarbamoyloxy-pyridine-2-carbonitrile, O-(2-Cyanopyridin-3-yl) dimethylcarbamothioate
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.17858 |
| Topological Polar Surface Area | 49.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 383.8886 |
Chemical Identifiers
| CAS Number | 53636-51-4 |
|---|---|
| SMILES | CN(C)C(=S)OC1=C(N=CC=C1)C#N |
Product Overview
Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester (CAS 53636-51-4), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: O-[(2-cyano-3-pyridinyl)] N,N-dimethylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester
Property Insights of Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester
The XLogP value of 1.17858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester. With a topological polar surface area (TPSA) of 49.15 Ų, Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester has 0 hydrogen bond donor(s) and 4 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 Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester?
The CAS number of Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester is 53636-51-4.
What is the molecular formula of Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester?
The molecular formula of Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester is C9H9N3OS.
What is the molecular weight of Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester?
The molecular weight of Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester is 207.05 g/mol.
Where can I buy Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester?
You can request a quote for Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, dimethyl-, O-(2-cyano-3-pyridinyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.