1-phenylethanone N-(3-methylphenyl)thiosemicarbazone
TL;DR: 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone (CAS 40970-96-5) is a chemical compound with molecular formula C16H17N3S and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-(1-phenylethylideneamino)thiourea
Also Known As: 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone, 1-(3-methylphenyl)-3-(1-phenylethylideneamino)thiourea
| Molecular Formula | C16H17N3S |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.11432 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 40970-96-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC=CC=C2 |
| InChIKey | MCJIXNUKGJCWRD-UHFFFAOYSA-N |
Product Overview
1-phenylethanone N-(3-methylphenyl)thiosemicarbazone (CAS 40970-96-5), with molecular formula C16H17N3S and molecular weight 283.11 g/mol. IUPAC: 1-(3-methylphenyl)-3-(1-phenylethylideneamino)thiourea.
Chemical Property Profile of 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone
Property Insights of 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone
The XLogP value of 3.1 indicates that 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone. Following Lipinski's Rule of Five, 1-phenylethanone N-(3-methylphenyl)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 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone?
The CAS number of 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone is 40970-96-5.
What is the molecular formula of 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone?
The molecular formula of 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone is C16H17N3S.
What is the molecular weight of 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone?
The molecular weight of 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone is 283.11 g/mol.
Where can I buy 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone?
You can request a quote for 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1-phenylethanone N-(3-methylphenyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.