RefChem:1086915
TL;DR: RefChem:1086915 (CAS 119033-85-1) is a chemical compound with molecular formula C13H13ClN4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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), RefChem:1086915
| Molecular Formula | C13H13ClN4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.999 |
| Topological Polar Surface Area | 41.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.05493 |
| Heavy Atoms | 19 |
| Complexity | 588.9456 |
Chemical Identifiers
| CAS Number | 119033-85-1 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/NC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
RefChem:1086915 (CAS 119033-85-1), with molecular formula C13H13ClN4S and molecular weight 292.05 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiourea.
Chemical Property Profile of RefChem:1086915
Property Insights of RefChem:1086915
The XLogP value of 2.999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086915. With a topological polar surface area (TPSA) of 41.35 Ų, RefChem:1086915 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 292.05 g/mol.
Where can I buy RefChem:1086915?
You can request a quote for RefChem:1086915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086915?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.