4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile
TL;DR: 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile (CAS 39736-28-2) is a chemical compound with molecular formula C5H5N3S2 and molecular weight 170.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-methylsulfanyl-1,3-thiazole-5-carbonitrile
Also Known As: 4-Amino-2-(methylthio)thiazole-5-carbonitrile, 4-Amino-2-methylthiothiazole-5-carbonitrile, 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile, TimTec1_005097, 2-methylthio-4-amino-5-cyanothiazole
| Molecular Formula | C5H5N3S2 |
|---|---|
| Molecular Weight | 170.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.9925 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 39736-28-2 |
|---|---|
| SMILES | CSC1=NC(=C(S1)C#N)N |
| InChIKey | USUFPYSYQQCDED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile (CAS 39736-28-2), with molecular formula C5H5N3S2 and molecular weight 170.99 g/mol. IUPAC: 4-amino-2-methylsulfanyl-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile
Property Insights of 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile has 1 hydrogen bond donor(s) and 5 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 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile?
The CAS number of 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile is 39736-28-2.
What is the molecular formula of 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile?
The molecular formula of 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile is C5H5N3S2.
What is the molecular weight of 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile?
The molecular weight of 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile is 170.99 g/mol.
Where can I buy 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile?
You can request a quote for 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.