Valerophenone thiosemicarbazone
TL;DR: Valerophenone thiosemicarbazone (CAS 316136-99-9) 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.
(1-phenylpentylideneamino)thiourea
Also Known As: valerophenone thiosemicarbazone, (1-phenylpentylideneamino)thiourea, n-butyl(phenyl)methanone thiosemicarbazone
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 2.4141 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 359.78644 |
Chemical Identifiers
| CAS Number | 316136-99-9 |
|---|---|
| SMILES | CCCCC(=NNC(=S)N)C1=CC=CC=C1 |
Product Overview
Valerophenone thiosemicarbazone (CAS 316136-99-9), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: (1-phenylpentylideneamino)thiourea.
Chemical Property Profile of Valerophenone thiosemicarbazone
Property Insights of Valerophenone thiosemicarbazone
The XLogP value of 2.4141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valerophenone thiosemicarbazone. With a topological polar surface area (TPSA) of 50.41 Ų, Valerophenone thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valerophenone 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 Valerophenone thiosemicarbazone?
The CAS number of Valerophenone thiosemicarbazone is 316136-99-9.
What is the molecular formula of Valerophenone thiosemicarbazone?
The molecular formula of Valerophenone thiosemicarbazone is C12H17N3S.
What is the molecular weight of Valerophenone thiosemicarbazone?
The molecular weight of Valerophenone thiosemicarbazone is 235.11 g/mol.
Where can I buy Valerophenone thiosemicarbazone?
You can request a quote for Valerophenone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valerophenone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Valerophenone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.