2-Cyanobenzothiazole
TL;DR: 2-Cyanobenzothiazole (CAS 2602-85-9) is a chemical compound with molecular formula C8H4N2S and molecular weight 160.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-2-carbonitrile
Also Known As: Benzo[d]thiazole-2-carbonitrile, 1,3-benzothiazole-2-carbonitrile, 2-benzothiazolecarbonitrile, 2-Cyanobenzothiazole, 2-Cyano-benzo[d]thiazole
| Molecular Formula | C8H4N2S |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.00952 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 2602-85-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C#N |
| InChIKey | UYHQUNLVWOAJQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanobenzothiazole (CAS 2602-85-9), with molecular formula C8H4N2S and molecular weight 160.01 g/mol. IUPAC: 1,3-benzothiazole-2-carbonitrile.
Chemical Property Profile of 2-Cyanobenzothiazole
Property Insights of 2-Cyanobenzothiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanobenzothiazole. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanobenzothiazole. Following Lipinski's Rule of Five, 2-Cyanobenzothiazole 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 2-Cyanobenzothiazole?
The CAS number of 2-Cyanobenzothiazole is 2602-85-9.
What is the molecular formula of 2-Cyanobenzothiazole?
The molecular formula of 2-Cyanobenzothiazole is C8H4N2S.
What is the molecular weight of 2-Cyanobenzothiazole?
The molecular weight of 2-Cyanobenzothiazole is 160.01 g/mol.
Where can I buy 2-Cyanobenzothiazole?
You can request a quote for 2-Cyanobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.