4-Cyanothiazole
TL;DR: 4-Cyanothiazole (CAS 1452-15-9) is a chemical compound with molecular formula C4H2N2S and molecular weight 109.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazole-4-carbonitrile
Also Known As: 4-CYANOTHIAZOLE, 4-Thiazolecarbonitrile, 1,3-thiazole-4-carbonitrile, thiazole-4-carbonitrile, 4-cyanothiazole, AldrichCPR
| Molecular Formula | C4H2N2S |
|---|---|
| Molecular Weight | 109.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.993866 |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 1452-15-9 |
|---|---|
| SMILES | C1=C(N=CS1)C#N |
| InChIKey | PNAFRZGWUVQUKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyanothiazole (CAS 1452-15-9), with molecular formula C4H2N2S and molecular weight 109.99 g/mol. IUPAC: 1,3-thiazole-4-carbonitrile.
Chemical Property Profile of 4-Cyanothiazole
Property Insights of 4-Cyanothiazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanothiazole. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanothiazole. Following Lipinski's Rule of Five, 4-Cyanothiazole has 0 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 4-Cyanothiazole?
The CAS number of 4-Cyanothiazole is 1452-15-9.
What is the molecular formula of 4-Cyanothiazole?
The molecular formula of 4-Cyanothiazole is C4H2N2S.
What is the molecular weight of 4-Cyanothiazole?
The molecular weight of 4-Cyanothiazole is 109.99 g/mol.
Where can I buy 4-Cyanothiazole?
You can request a quote for 4-Cyanothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.