![alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile structure](/static/products/754/75407-99-7.png)
alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile
TL;DR: alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile (CAS 75407-99-7) is a chemical compound with molecular formula C9H5N3OS and molecular weight 203.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile
Also Known As: TimTec1_004665, 2(3H)-BENZOTHIAZOLYLIDENENITROSO-ACETONITRILE, alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile, ACETONITRILE, 2(3H)-BENZOTHIAZOLYLIDENENITROSO-, 2-Benzothiazoleacetonitrile, alpha-(hydroxyimino)- (9CI)
| Molecular Formula | C9H5N3OS |
|---|---|
| Molecular Weight | 203.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.01534 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 75407-99-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=NO)C#N |
| InChIKey | USOUGMJKPPEOEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile (CAS 75407-99-7), with molecular formula C9H5N3OS and molecular weight 203.02 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile.
Chemical Property Profile of alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile
Property Insights of alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile. Following Lipinski's Rule of Five, alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile has 1 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 alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile?
The CAS number of alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile is 75407-99-7.
What is the molecular formula of alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile?
The molecular formula of alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile is C9H5N3OS.
What is the molecular weight of alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile?
The molecular weight of alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile is 203.02 g/mol.
Where can I buy alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile?
You can request a quote for alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-[Benzthiazol-2-yl]-alpha-oximino-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.