5-Anilino-3-methylisothiazole-4-carbonitrile
TL;DR: 5-Anilino-3-methylisothiazole-4-carbonitrile (CAS 91093-88-8) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-anilino-3-methyl-1,2-thiazole-4-carbonitrile
Also Known As: Cyclomenol, 5-anilino-3-methylisothiazole-4-carbonitrile, 3-methyl-5-(phenylamino)isothiazole-4-carbonitrile, 5-anilino-3-methyl-1,2-thiazole-4-carbonitrile, 3-methyl-5-(phenylamino)-1,2-thiazole-4-carbonitrile
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 3.0668 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 496.29675 |
Chemical Identifiers
| CAS Number | 91093-88-8 |
|---|---|
| SMILES | CC1=NSC(=C1C#N)NC2=CC=CC=C2 |
Product Overview
5-Anilino-3-methylisothiazole-4-carbonitrile (CAS 91093-88-8), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 5-anilino-3-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Anilino-3-methylisothiazole-4-carbonitrile
Property Insights of 5-Anilino-3-methylisothiazole-4-carbonitrile
The XLogP value of 3.0668 indicates that 5-Anilino-3-methylisothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 5-Anilino-3-methylisothiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Anilino-3-methylisothiazole-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-Anilino-3-methylisothiazole-4-carbonitrile?
The CAS number of 5-Anilino-3-methylisothiazole-4-carbonitrile is 91093-88-8.
What is the molecular formula of 5-Anilino-3-methylisothiazole-4-carbonitrile?
The molecular formula of 5-Anilino-3-methylisothiazole-4-carbonitrile is C11H9N3S.
What is the molecular weight of 5-Anilino-3-methylisothiazole-4-carbonitrile?
The molecular weight of 5-Anilino-3-methylisothiazole-4-carbonitrile is 215.05 g/mol.
Where can I buy 5-Anilino-3-methylisothiazole-4-carbonitrile?
You can request a quote for 5-Anilino-3-methylisothiazole-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-Anilino-3-methylisothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Anilino-3-methylisothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.