4-Isopropylbenzaldehyde thiosemicarbazone
TL;DR: 4-Isopropylbenzaldehyde thiosemicarbazone (CAS 3811-20-9) is a chemical compound with molecular formula C11H15N3S and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-propan-2-ylphenyl)methylideneamino]thiourea
Also Known As: Cutisone, p-is.TSCN, Cuminaldehyde thiosemicarbazone, 4-Isopropylbenzaldehyde thiosemicarbazone, p-isopropylbenzaldehyd-thiosemicarbazon
| Molecular Formula | C11H15N3S |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.09866 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 3811-20-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=NNC(=S)N |
| InChIKey | GCIARVDJUYGSFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylbenzaldehyde thiosemicarbazone (CAS 3811-20-9), with molecular formula C11H15N3S and molecular weight 221.10 g/mol. IUPAC: [(4-propan-2-ylphenyl)methylideneamino]thiourea.
Chemical Property Profile of 4-Isopropylbenzaldehyde thiosemicarbazone
Property Insights of 4-Isopropylbenzaldehyde thiosemicarbazone
The XLogP value of 3.0 indicates that 4-Isopropylbenzaldehyde thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isopropylbenzaldehyde thiosemicarbazone. Following Lipinski's Rule of Five, 4-Isopropylbenzaldehyde thiosemicarbazone 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 4-Isopropylbenzaldehyde thiosemicarbazone?
The CAS number of 4-Isopropylbenzaldehyde thiosemicarbazone is 3811-20-9.
What is the molecular formula of 4-Isopropylbenzaldehyde thiosemicarbazone?
The molecular formula of 4-Isopropylbenzaldehyde thiosemicarbazone is C11H15N3S.
What is the molecular weight of 4-Isopropylbenzaldehyde thiosemicarbazone?
The molecular weight of 4-Isopropylbenzaldehyde thiosemicarbazone is 221.10 g/mol.
Where can I buy 4-Isopropylbenzaldehyde thiosemicarbazone?
You can request a quote for 4-Isopropylbenzaldehyde thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylbenzaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylbenzaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.