5-Amino-3-chloro-1,2-thiazole-4-carbonitrile
TL;DR: 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile (CAS 3889-68-7) is a chemical compound with molecular formula C4H2ClN3S and molecular weight 158.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-chloro-1,2-thiazole-4-carbonitrile
Also Known As: 5-Amino-3-chloroisothiazole-4-carbonitrile, 5-amino-3-chloro-1,2-thiazole-4-carbonitrile, 5-amino-3-chloro-4-isothiazolecarbonitrile, J2.961.932H, 996-063-5
| Molecular Formula | C4H2ClN3S |
|---|---|
| Molecular Weight | 158.97 g/mol |
| LogP | 1.25038 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.96579 |
| Heavy Atoms | 9 |
| Complexity | 241.76672 |
Chemical Identifiers
| CAS Number | 3889-68-7 |
|---|---|
| SMILES | C(#N)C1=C(SN=C1Cl)N |
Product Overview
5-Amino-3-chloro-1,2-thiazole-4-carbonitrile (CAS 3889-68-7), with molecular formula C4H2ClN3S and molecular weight 158.97 g/mol. IUPAC: 5-amino-3-chloro-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile
Property Insights of 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile
The XLogP value of 1.25038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile 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 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile?
The CAS number of 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile is 3889-68-7.
What is the molecular formula of 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile is C4H2ClN3S.
What is the molecular weight of 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile is 158.97 g/mol.
Where can I buy 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-Amino-3-chloro-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 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-chloro-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.