S-Methyl N-cyano-N'-3-pyridylisothiourea
TL;DR: S-Methyl N-cyano-N'-3-pyridylisothiourea (CAS 60573-09-3) is a chemical compound with molecular formula C8H8N4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-N'-pyridin-3-ylcarbamimidothioate
Also Known As: S-Methyl N-cyano-N'-3-pyridylisothiourea, methyl N-cyano-N'-pyridin-3-ylcarbamimidothioate, N-Cyano-S-methyl-N'-(pyridin-3-yl)isothiourea, methyl n'-cyano-n-(3-pyridinyl)carbamimidothioate, methyl N'-cyano-N-(pyridin-3-yl)carbamimidothioate
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 60573-09-3 |
|---|---|
| SMILES | CSC(=NC1=CN=CC=C1)NC#N |
| InChIKey | ZHHXBBLJRQSVFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Methyl N-cyano-N'-3-pyridylisothiourea (CAS 60573-09-3), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: methyl N-cyano-N'-pyridin-3-ylcarbamimidothioate.
Chemical Property Profile of S-Methyl N-cyano-N'-3-pyridylisothiourea
Property Insights of S-Methyl N-cyano-N'-3-pyridylisothiourea
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl N-cyano-N'-3-pyridylisothiourea. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Methyl N-cyano-N'-3-pyridylisothiourea. Following Lipinski's Rule of Five, S-Methyl N-cyano-N'-3-pyridylisothiourea has 1 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 S-Methyl N-cyano-N'-3-pyridylisothiourea?
The CAS number of S-Methyl N-cyano-N'-3-pyridylisothiourea is 60573-09-3.
What is the molecular formula of S-Methyl N-cyano-N'-3-pyridylisothiourea?
The molecular formula of S-Methyl N-cyano-N'-3-pyridylisothiourea is C8H8N4S.
What is the molecular weight of S-Methyl N-cyano-N'-3-pyridylisothiourea?
The molecular weight of S-Methyl N-cyano-N'-3-pyridylisothiourea is 192.05 g/mol.
Where can I buy S-Methyl N-cyano-N'-3-pyridylisothiourea?
You can request a quote for S-Methyl N-cyano-N'-3-pyridylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl N-cyano-N'-3-pyridylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl N-cyano-N'-3-pyridylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.