4-Methylcyclohexanone thiosemicarbazone
TL;DR: 4-Methylcyclohexanone thiosemicarbazone (CAS 22397-22-4) is a chemical compound with molecular formula C8H15N3S and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-methylcyclohexylidene)amino]thiourea
Also Known As: 4-Methylcyclohexanone thiosemicarbazone, [(4-methylcyclohexylidene)amino]thiourea, Cyclohexanone, 4-methyl-, thiosemicarbazone, 4-Methylcyclohexanone thiosemicarbazone #, (+-)-1-methyl-cyclohexanone-(4)-thiosemicarbazone
| Molecular Formula | C8H15N3S |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 1.3857 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.09866 |
| Heavy Atoms | 12 |
| Complexity | 190.47966 |
Chemical Identifiers
| CAS Number | 22397-22-4 |
|---|---|
| SMILES | CC1CCC(=NNC(=S)N)CC1 |
Product Overview
4-Methylcyclohexanone thiosemicarbazone (CAS 22397-22-4), with molecular formula C8H15N3S and molecular weight 185.10 g/mol. IUPAC: [(4-methylcyclohexylidene)amino]thiourea.
Chemical Property Profile of 4-Methylcyclohexanone thiosemicarbazone
Property Insights of 4-Methylcyclohexanone thiosemicarbazone
The XLogP value of 1.3857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcyclohexanone thiosemicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, 4-Methylcyclohexanone thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcyclohexanone 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-Methylcyclohexanone thiosemicarbazone?
The CAS number of 4-Methylcyclohexanone thiosemicarbazone is 22397-22-4.
What is the molecular formula of 4-Methylcyclohexanone thiosemicarbazone?
The molecular formula of 4-Methylcyclohexanone thiosemicarbazone is C8H15N3S.
What is the molecular weight of 4-Methylcyclohexanone thiosemicarbazone?
The molecular weight of 4-Methylcyclohexanone thiosemicarbazone is 185.10 g/mol.
Where can I buy 4-Methylcyclohexanone thiosemicarbazone?
You can request a quote for 4-Methylcyclohexanone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcyclohexanone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcyclohexanone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.