2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile
TL;DR: 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile (CAS 173540-03-9) is a chemical compound with molecular formula C6H5N3OS and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
Also Known As: 4-methyl-1,3-thiazole-2-carbonimidoyl cyanide, 2-Thiazoleacetonitrile, alpha-(hydroxyimino)-4-methyl-, 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile, (2Z)-(hydroxyimino)(4-methyl-1,3-thiazol-2-yl)acetonitrile, 2-(4-methyl-2,3-dihydro-1,3-thiazol-2-ylidene)-2-nitrosoacetonitrile
| Molecular Formula | C6H5N3OS |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 1.1534 |
| Topological Polar Surface Area | 69.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.01534 |
| Heavy Atoms | 11 |
| Complexity | 322.81354 |
Chemical Identifiers
| CAS Number | 173540-03-9 |
|---|---|
| SMILES | CC1=CSC(=N1)C(=NO)C#N |
Product Overview
2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile (CAS 173540-03-9), with molecular formula C6H5N3OS and molecular weight 167.02 g/mol. IUPAC: 2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.
Chemical Property Profile of 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile
Property Insights of 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile
The XLogP value of 1.1534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile. The TPSA of 69.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile. Following Lipinski's Rule of Five, 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile 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 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile?
The CAS number of 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile is 173540-03-9.
What is the molecular formula of 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile?
The molecular formula of 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile is C6H5N3OS.
What is the molecular weight of 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile?
The molecular weight of 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile is 167.02 g/mol.
Where can I buy 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile?
You can request a quote for 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.