RefChem:1086915
TL;DR: RefChem:1086915 (CAS 119033-85-1) is a chemical compound with molecular formula C13H13ClN4S and molecular weight 292.05493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiourea
Also Known As: 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone, Semicarbazide, 4-(p-chlorophenyl)-1-((1-methyl-2-pyrrolyl)methylene)-3-thio-, Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-, Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)- (9CI)
Technical Specifications
| Molecular Formula | C13H13ClN4S |
| Molecular Weight | 292.05493 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.05493 Da |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
| SMILES | CN1C=CC=C1/C=N/NC(=S)NC2=CC=C(C=C2)Cl |
| InChIKey | WWMPYEZCWUDYBR-OQLLNIDSSA-N |
Chemical Property Profile of RefChem:1086915
Property Insights of RefChem:1086915
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086915. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086915. Following Lipinski's Rule of Five, RefChem:1086915 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1086915?
The CAS number of RefChem:1086915 is 119033-85-1.
What is the molecular formula of RefChem:1086915?
The molecular formula of RefChem:1086915 is C13H13ClN4S.
What is the molecular weight of RefChem:1086915?
The molecular weight of RefChem:1086915 is 292.05493 g/mol.
Where can I buy RefChem:1086915?
You can request a quote for RefChem:1086915 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1086915?
Yes, CoreyChem provides custom synthesis services for RefChem:1086915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.