6-Benzothiazolecarbonitrile, 2-methyl-
TL;DR: 6-Benzothiazolecarbonitrile, 2-methyl- (CAS 42474-60-2) is a chemical compound with molecular formula C9H6N2S and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-benzothiazole-6-carbonitrile
Also Known As: 2-Methylbenzo[d]thiazole-6-carbonitrile, 6-cyano-2-methylbenzothiazole, 2-Methyl-6-cyanobenzothiazole, 2-methyl-1,3-benzothiazole-6-carbonitrile, 6-Benzothiazolecarbonitrile, 2-methyl-
| Molecular Formula | C9H6N2S |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.02516 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 42474-60-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)C#N |
| InChIKey | BSQUFWQEXRABMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzothiazolecarbonitrile, 2-methyl- (CAS 42474-60-2), with molecular formula C9H6N2S and molecular weight 174.03 g/mol. IUPAC: 2-methyl-1,3-benzothiazole-6-carbonitrile.
Chemical Property Profile of 6-Benzothiazolecarbonitrile, 2-methyl-
Property Insights of 6-Benzothiazolecarbonitrile, 2-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzothiazolecarbonitrile, 2-methyl-. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzothiazolecarbonitrile, 2-methyl-. Following Lipinski's Rule of Five, 6-Benzothiazolecarbonitrile, 2-methyl- 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 6-Benzothiazolecarbonitrile, 2-methyl-?
The CAS number of 6-Benzothiazolecarbonitrile, 2-methyl- is 42474-60-2.
What is the molecular formula of 6-Benzothiazolecarbonitrile, 2-methyl-?
The molecular formula of 6-Benzothiazolecarbonitrile, 2-methyl- is C9H6N2S.
What is the molecular weight of 6-Benzothiazolecarbonitrile, 2-methyl-?
The molecular weight of 6-Benzothiazolecarbonitrile, 2-methyl- is 174.03 g/mol.
Where can I buy 6-Benzothiazolecarbonitrile, 2-methyl-?
You can request a quote for 6-Benzothiazolecarbonitrile, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzothiazolecarbonitrile, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzothiazolecarbonitrile, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.