2-Pyridinylmethyl imidothiocarbamate
TL;DR: 2-Pyridinylmethyl imidothiocarbamate (CAS 112058-80-7) is a chemical compound with molecular formula C7H9N3S and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl carbamimidothioate
Also Known As: 2-pyridinylmethyl imidothiocarbamate, pyridin-2-ylmethyl carbamimidothioate, (2-pyridylmethyl)thiocarboxamidine, Carbamimidothioic acid 2-pyridylmethyl ester, 2-(2-pyridylmethyl)isothiourea;hydrochloride
| Molecular Formula | C7H9N3S |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 1.20827 |
| Topological Polar Surface Area | 62.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05171 |
| Heavy Atoms | 11 |
| Complexity | 234.70082 |
Chemical Identifiers
| CAS Number | 112058-80-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)CSC(=N)N |
Product Overview
2-Pyridinylmethyl imidothiocarbamate (CAS 112058-80-7), with molecular formula C7H9N3S and molecular weight 167.05 g/mol. IUPAC: pyridin-2-ylmethyl carbamimidothioate.
Chemical Property Profile of 2-Pyridinylmethyl imidothiocarbamate
Property Insights of 2-Pyridinylmethyl imidothiocarbamate
The XLogP value of 1.20827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinylmethyl imidothiocarbamate. The TPSA of 62.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyridinylmethyl imidothiocarbamate. Following Lipinski's Rule of Five, 2-Pyridinylmethyl imidothiocarbamate has 2 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 2-Pyridinylmethyl imidothiocarbamate?
The CAS number of 2-Pyridinylmethyl imidothiocarbamate is 112058-80-7.
What is the molecular formula of 2-Pyridinylmethyl imidothiocarbamate?
The molecular formula of 2-Pyridinylmethyl imidothiocarbamate is C7H9N3S.
What is the molecular weight of 2-Pyridinylmethyl imidothiocarbamate?
The molecular weight of 2-Pyridinylmethyl imidothiocarbamate is 167.05 g/mol.
Where can I buy 2-Pyridinylmethyl imidothiocarbamate?
You can request a quote for 2-Pyridinylmethyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinylmethyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinylmethyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.