2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile
TL;DR: 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile (CAS 119882-13-2) is a chemical compound with molecular formula C16H11N3O2S and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile
Also Known As: 2-(alpha-cyano-4-nitrobenzylidene)-3-methylbenzothiazoline, 2-(3-methylbenzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile, 2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile
| Molecular Formula | C16H11N3O2S |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 4.02908 |
| Topological Polar Surface Area | 70.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0572 |
| Heavy Atoms | 22 |
| Complexity | 822.0297 |
Chemical Identifiers
| CAS Number | 119882-13-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile (CAS 119882-13-2), with molecular formula C16H11N3O2S and molecular weight 309.06 g/mol. IUPAC: 2-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile
Property Insights of 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile
The XLogP value of 4.02908 indicates that 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile has 0 hydrogen bond donor(s) and 5 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-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile?
The CAS number of 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile is 119882-13-2.
What is the molecular formula of 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile?
The molecular formula of 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile is C16H11N3O2S.
What is the molecular weight of 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile?
The molecular weight of 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile is 309.06 g/mol.
Where can I buy 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile?
You can request a quote for 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.