S-ethyl 2-pyridinylmethylthiocarbamate
TL;DR: S-ethyl 2-pyridinylmethylthiocarbamate (CAS 353259-83-3) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(pyridin-2-ylmethyl)carbamothioate
Also Known As: S-ethyl 2-pyridinylmethylthiocarbamate, S-ethyl N-(pyridin-2-ylmethyl)carbamothioate, AI-204/31696024
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.0443 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 263.57703 |
Chemical Identifiers
| CAS Number | 353259-83-3 |
|---|---|
| SMILES | CCSC(=O)NCC1=CC=CC=N1 |
Product Overview
S-ethyl 2-pyridinylmethylthiocarbamate (CAS 353259-83-3), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: S-ethyl N-(pyridin-2-ylmethyl)carbamothioate.
Chemical Property Profile of S-ethyl 2-pyridinylmethylthiocarbamate
Property Insights of S-ethyl 2-pyridinylmethylthiocarbamate
The XLogP value of 2.0443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethyl 2-pyridinylmethylthiocarbamate. With a topological polar surface area (TPSA) of 41.99 Ų, S-ethyl 2-pyridinylmethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl 2-pyridinylmethylthiocarbamate has 1 hydrogen bond donor(s) and 3 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 S-ethyl 2-pyridinylmethylthiocarbamate?
The CAS number of S-ethyl 2-pyridinylmethylthiocarbamate is 353259-83-3.
What is the molecular formula of S-ethyl 2-pyridinylmethylthiocarbamate?
The molecular formula of S-ethyl 2-pyridinylmethylthiocarbamate is C9H12N2OS.
What is the molecular weight of S-ethyl 2-pyridinylmethylthiocarbamate?
The molecular weight of S-ethyl 2-pyridinylmethylthiocarbamate is 196.07 g/mol.
Where can I buy S-ethyl 2-pyridinylmethylthiocarbamate?
You can request a quote for S-ethyl 2-pyridinylmethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl 2-pyridinylmethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl 2-pyridinylmethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.