Dichloro-1,2-thiazole-4-carbonitrile
TL;DR: Dichloro-1,2-thiazole-4-carbonitrile (CAS 2120-82-3) is a chemical compound with molecular formula C4Cl2N2S and molecular weight 177.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-1,2-thiazole-4-carbonitrile
Also Known As: 3,5-Dichloroisothiazole-4-carbonitrile, C4Cl2N2S, dichloro-1,2-thiazole-4-carbonitrile, 3,5-dichloro-1,2-thiazole-4-carbonitrile, 3,5-dichloro-4-isothiazolecarbonitrile
| Molecular Formula | C4Cl2N2S |
|---|---|
| Molecular Weight | 177.92 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.91592 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 2120-82-3 |
|---|---|
| SMILES | C(#N)C1=C(SN=C1Cl)Cl |
| InChIKey | RUNARDFVMLWILC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichloro-1,2-thiazole-4-carbonitrile (CAS 2120-82-3), with molecular formula C4Cl2N2S and molecular weight 177.92 g/mol. IUPAC: 3,5-dichloro-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of Dichloro-1,2-thiazole-4-carbonitrile
Property Insights of Dichloro-1,2-thiazole-4-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloro-1,2-thiazole-4-carbonitrile. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichloro-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, Dichloro-1,2-thiazole-4-carbonitrile 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 Dichloro-1,2-thiazole-4-carbonitrile?
The CAS number of Dichloro-1,2-thiazole-4-carbonitrile is 2120-82-3.
What is the molecular formula of Dichloro-1,2-thiazole-4-carbonitrile?
The molecular formula of Dichloro-1,2-thiazole-4-carbonitrile is C4Cl2N2S.
What is the molecular weight of Dichloro-1,2-thiazole-4-carbonitrile?
The molecular weight of Dichloro-1,2-thiazole-4-carbonitrile is 177.92 g/mol.
Where can I buy Dichloro-1,2-thiazole-4-carbonitrile?
You can request a quote for Dichloro-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloro-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Dichloro-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.