4-Tert-butylcyclohexanone thiosemicarbazone
TL;DR: 4-Tert-butylcyclohexanone thiosemicarbazone (CAS 303064-20-2) is a chemical compound with molecular formula C11H21N3S and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-tert-butylcyclohexylidene)amino]thiourea
Also Known As: [(4-tert-butylcyclohexylidene)amino]thiourea|4-TERT-BUTYLCYCLOHEXANONE THIOSEMICARBAZONE
| Molecular Formula | C11H21N3S |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 2.4119 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.14561 |
| Heavy Atoms | 15 |
| Complexity | 255.49683 |
Chemical Identifiers
| CAS Number | 303064-20-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC(=NNC(=S)N)CC1 |
Product Overview
4-Tert-butylcyclohexanone thiosemicarbazone (CAS 303064-20-2), with molecular formula C11H21N3S and molecular weight 227.15 g/mol. IUPAC: [(4-tert-butylcyclohexylidene)amino]thiourea.
Chemical Property Profile of 4-Tert-butylcyclohexanone thiosemicarbazone
Property Insights of 4-Tert-butylcyclohexanone thiosemicarbazone
The XLogP value of 2.4119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butylcyclohexanone thiosemicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, 4-Tert-butylcyclohexanone thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylcyclohexanone 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-Tert-butylcyclohexanone thiosemicarbazone?
The CAS number of 4-Tert-butylcyclohexanone thiosemicarbazone is 303064-20-2.
What is the molecular formula of 4-Tert-butylcyclohexanone thiosemicarbazone?
The molecular formula of 4-Tert-butylcyclohexanone thiosemicarbazone is C11H21N3S.
What is the molecular weight of 4-Tert-butylcyclohexanone thiosemicarbazone?
The molecular weight of 4-Tert-butylcyclohexanone thiosemicarbazone is 227.15 g/mol.
Where can I buy 4-Tert-butylcyclohexanone thiosemicarbazone?
You can request a quote for 4-Tert-butylcyclohexanone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylcyclohexanone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylcyclohexanone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.