Methylbutyl ketone thio-semicarbazone
TL;DR: Methylbutyl ketone thio-semicarbazone (CAS 14923-71-8) is a chemical compound with molecular formula C7H15N3S and molecular weight 173.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(hexan-2-ylideneamino)thiourea
Also Known As: 2-Hexanone thiosemicarbazone, (hexan-2-ylideneamino)thiourea, [(hexan-2-ylidene)amino]thiourea, methylbutyl ketone thio-semicarbazone, NCI60_008646
| Molecular Formula | C7H15N3S |
|---|---|
| Molecular Weight | 173.10 g/mol |
| LogP | 1.3857 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.09866 |
| Heavy Atoms | 11 |
| Complexity | 153.76468 |
Chemical Identifiers
| CAS Number | 14923-71-8 |
|---|---|
| SMILES | CCCCC(=NNC(=S)N)C |
Product Overview
Methylbutyl ketone thio-semicarbazone (CAS 14923-71-8), with molecular formula C7H15N3S and molecular weight 173.10 g/mol. IUPAC: (hexan-2-ylideneamino)thiourea.
Chemical Property Profile of Methylbutyl ketone thio-semicarbazone
Property Insights of Methylbutyl ketone thio-semicarbazone
The XLogP value of 1.3857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylbutyl ketone thio-semicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, Methylbutyl ketone thio-semicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylbutyl ketone thio-semicarbazone 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 Methylbutyl ketone thio-semicarbazone?
The CAS number of Methylbutyl ketone thio-semicarbazone is 14923-71-8.
What is the molecular formula of Methylbutyl ketone thio-semicarbazone?
The molecular formula of Methylbutyl ketone thio-semicarbazone is C7H15N3S.
What is the molecular weight of Methylbutyl ketone thio-semicarbazone?
The molecular weight of Methylbutyl ketone thio-semicarbazone is 173.10 g/mol.
Where can I buy Methylbutyl ketone thio-semicarbazone?
You can request a quote for Methylbutyl ketone thio-semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylbutyl ketone thio-semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Methylbutyl ketone thio-semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.