2-Cyano-6-hydroxybenzothiazole
TL;DR: 2-Cyano-6-hydroxybenzothiazole (CAS 939-69-5) is a chemical compound with molecular formula C8H4N2OS and molecular weight 176.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-benzothiazole-2-carbonitrile
Also Known As: 2-Cyano-6-hydroxybenzothiazole, 6-hydroxybenzo[d]thiazole-2-carbonitrile, 6-hydroxy-1,3-benzothiazole-2-carbonitrile, 6-hydroxybenzothiazole-2-carbonitrile, 6-hydroxy-2-cyano-benzothiazole
| Molecular Formula | C8H4N2OS |
|---|---|
| Molecular Weight | 176.00 g/mol |
| LogP | 1.87358 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.00444 |
| Heavy Atoms | 12 |
| Complexity | 469.35287 |
Chemical Identifiers
| CAS Number | 939-69-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)SC(=N2)C#N |
Product Overview
2-Cyano-6-hydroxybenzothiazole (CAS 939-69-5), with molecular formula C8H4N2OS and molecular weight 176.00 g/mol. IUPAC: 6-hydroxy-1,3-benzothiazole-2-carbonitrile.
Chemical Property Profile of 2-Cyano-6-hydroxybenzothiazole
Property Insights of 2-Cyano-6-hydroxybenzothiazole
The XLogP value of 1.87358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-6-hydroxybenzothiazole. With a topological polar surface area (TPSA) of 56.91 Ų, 2-Cyano-6-hydroxybenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-6-hydroxybenzothiazole 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 2-Cyano-6-hydroxybenzothiazole?
The CAS number of 2-Cyano-6-hydroxybenzothiazole is 939-69-5.
What is the molecular formula of 2-Cyano-6-hydroxybenzothiazole?
The molecular formula of 2-Cyano-6-hydroxybenzothiazole is C8H4N2OS.
What is the molecular weight of 2-Cyano-6-hydroxybenzothiazole?
The molecular weight of 2-Cyano-6-hydroxybenzothiazole is 176.00 g/mol.
Where can I buy 2-Cyano-6-hydroxybenzothiazole?
You can request a quote for 2-Cyano-6-hydroxybenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-6-hydroxybenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-6-hydroxybenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.