![2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile structure](/static/products/6927/692732-73-3.webp)
2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile
TL;DR: 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile (CAS 692732-73-3) is a chemical compound with molecular formula C12H7ClN4S and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylidene]propanedinitrile
Also Known As: 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile, 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylidene)propanedinitrile, 2-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylidene]propanedinitrile, 2-[[1-[(2-chlorothiazol-5-yl)methyl]pyrrol-2-yl]methylene]propanedinitrile, 2-({1-(2-Chloro-1,3-thiazol-5-yl)methyl-1H-pyrrol-2-yl}methylene)malononitrile
| Molecular Formula | C12H7ClN4S |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 3.07686 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.008 |
| Heavy Atoms | 18 |
| Complexity | 652.79913 |
Chemical Identifiers
| CAS Number | 692732-73-3 |
|---|---|
| SMILES | C1=CN(C(=C1)C=C(C#N)C#N)CC2=CN=C(S2)Cl |
Product Overview
2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile (CAS 692732-73-3), with molecular formula C12H7ClN4S and molecular weight 274.01 g/mol. IUPAC: 2-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile
Property Insights of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile
The XLogP value of 3.07686 indicates that 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile. Following Lipinski's Rule of Five, 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile has 0 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 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile?
The CAS number of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile is 692732-73-3.
What is the molecular formula of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile?
The molecular formula of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile is C12H7ClN4S.
What is the molecular weight of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile?
The molecular weight of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile is 274.01 g/mol.
Where can I buy 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile?
You can request a quote for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-yl}methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.