Ethyl methyl ketone thiosemicarbazone
TL;DR: Ethyl methyl ketone thiosemicarbazone (CAS 1752-40-5) is a chemical compound with molecular formula C5H11N3S and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(butan-2-ylideneamino)thiourea
Also Known As: Thiosemicarbazone-2-butanone, 2-Butanone, thiosemicarbazone, Methyl ethyl ketone thiosemicarbazone, (butan-2-ylideneamino)thiourea, 1-(2-Butylidene)-3-thiosemicarbazide
| Molecular Formula | C5H11N3S |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 0.6055 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.06737 |
| Heavy Atoms | 9 |
| Complexity | 130.1648 |
Chemical Identifiers
| CAS Number | 1752-40-5 |
|---|---|
| SMILES | CCC(=NNC(=S)N)C |
Product Overview
Ethyl methyl ketone thiosemicarbazone (CAS 1752-40-5), with molecular formula C5H11N3S and molecular weight 145.07 g/mol. IUPAC: (butan-2-ylideneamino)thiourea.
Chemical Property Profile of Ethyl methyl ketone thiosemicarbazone
Property Insights of Ethyl methyl ketone thiosemicarbazone
The XLogP value of 0.6055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl methyl ketone thiosemicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, Ethyl methyl ketone thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl methyl ketone 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 Ethyl methyl ketone thiosemicarbazone?
The CAS number of Ethyl methyl ketone thiosemicarbazone is 1752-40-5.
What is the molecular formula of Ethyl methyl ketone thiosemicarbazone?
The molecular formula of Ethyl methyl ketone thiosemicarbazone is C5H11N3S.
What is the molecular weight of Ethyl methyl ketone thiosemicarbazone?
The molecular weight of Ethyl methyl ketone thiosemicarbazone is 145.07 g/mol.
Where can I buy Ethyl methyl ketone thiosemicarbazone?
You can request a quote for Ethyl methyl ketone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl methyl ketone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Ethyl methyl ketone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.