4-Methylbenzaldehyde thiosemicarbazone
TL;DR: 4-Methylbenzaldehyde thiosemicarbazone (CAS 1321617-35-9) is a chemical compound with molecular formula C9H11N3S and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-methylphenyl)methylideneamino]thiourea
Also Known As: 4-methylbenzaldehyde thiosemicarbazone, 4-methylbenzylidenehydrazinecarbothioamide, [(4-methylphenyl)methylideneamino]thiourea, {[(4-methylphenyl)methylidene]amino}thiourea, (E)-1-(4-Methylbenzylidene)thiosemicarbazide
| Molecular Formula | C9H11N3S |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.16212 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.06737 |
| Heavy Atoms | 13 |
| Complexity | 316.13663 |
Chemical Identifiers
| CAS Number | 1321617-35-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=N/NC(=S)N |
Product Overview
4-Methylbenzaldehyde thiosemicarbazone (CAS 1321617-35-9), with molecular formula C9H11N3S and molecular weight 193.07 g/mol. IUPAC: [(E)-(4-methylphenyl)methylideneamino]thiourea.
Chemical Property Profile of 4-Methylbenzaldehyde thiosemicarbazone
Property Insights of 4-Methylbenzaldehyde thiosemicarbazone
The XLogP value of 1.16212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzaldehyde thiosemicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, 4-Methylbenzaldehyde thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzaldehyde 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-Methylbenzaldehyde thiosemicarbazone?
The CAS number of 4-Methylbenzaldehyde thiosemicarbazone is 1321617-35-9.
What is the molecular formula of 4-Methylbenzaldehyde thiosemicarbazone?
The molecular formula of 4-Methylbenzaldehyde thiosemicarbazone is C9H11N3S.
What is the molecular weight of 4-Methylbenzaldehyde thiosemicarbazone?
The molecular weight of 4-Methylbenzaldehyde thiosemicarbazone is 193.07 g/mol.
Where can I buy 4-Methylbenzaldehyde thiosemicarbazone?
You can request a quote for 4-Methylbenzaldehyde thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.