4-tert-Butylbenzaldehyde thiosemicarbazone
TL;DR: 4-tert-Butylbenzaldehyde thiosemicarbazone (CAS 100318-99-8) is a chemical compound with molecular formula C12H17N3S and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-tert-butylphenyl)methylideneamino]thiourea
Also Known As: 4-tert-Butylbenzaldehyde thiosemicarbazone, 4-tert-Butyl-benzaldehyd-thiosemicarbazon, 4-tert-butyl-benzaldehyde-thiosemicarbazone, [(4-tert-butylphenyl)methylideneamino]thiourea
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 2.1512 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 387.72006 |
Chemical Identifiers
| CAS Number | 100318-99-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C=NNC(=S)N |
Product Overview
4-tert-Butylbenzaldehyde thiosemicarbazone (CAS 100318-99-8), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: [(4-tert-butylphenyl)methylideneamino]thiourea.
Chemical Property Profile of 4-tert-Butylbenzaldehyde thiosemicarbazone
Property Insights of 4-tert-Butylbenzaldehyde thiosemicarbazone
The XLogP value of 2.1512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylbenzaldehyde thiosemicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, 4-tert-Butylbenzaldehyde thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylbenzaldehyde 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-Butylbenzaldehyde thiosemicarbazone?
The CAS number of 4-tert-Butylbenzaldehyde thiosemicarbazone is 100318-99-8.
What is the molecular formula of 4-tert-Butylbenzaldehyde thiosemicarbazone?
The molecular formula of 4-tert-Butylbenzaldehyde thiosemicarbazone is C12H17N3S.
What is the molecular weight of 4-tert-Butylbenzaldehyde thiosemicarbazone?
The molecular weight of 4-tert-Butylbenzaldehyde thiosemicarbazone is 235.11 g/mol.
Where can I buy 4-tert-Butylbenzaldehyde thiosemicarbazone?
You can request a quote for 4-tert-Butylbenzaldehyde 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-Butylbenzaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylbenzaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.