3-Aminothian-4-one
TL;DR: 3-Aminothian-4-one (CAS 885952-10-3) is a chemical compound with molecular formula C5H9NOS and molecular weight 131.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminothian-4-one
Also Known As: 3-aminothian-4-one
| Molecular Formula | C5H9NOS |
|---|---|
| Molecular Weight | 131.04 g/mol |
| LogP | 0.0197 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.04048 |
| Heavy Atoms | 8 |
| Complexity | 104.60179 |
Chemical Identifiers
| CAS Number | 885952-10-3 |
|---|---|
| SMILES | C1CSCC(C1=O)N |
Product Overview
3-Aminothian-4-one (CAS 885952-10-3), with molecular formula C5H9NOS and molecular weight 131.04 g/mol. IUPAC: 3-aminothian-4-one.
Chemical Property Profile of 3-Aminothian-4-one
Property Insights of 3-Aminothian-4-one
The XLogP value of 0.0197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminothian-4-one. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Aminothian-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminothian-4-one has 1 hydrogen bond donor(s) and 3 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 3-Aminothian-4-one?
The CAS number of 3-Aminothian-4-one is 885952-10-3.
What is the molecular formula of 3-Aminothian-4-one?
The molecular formula of 3-Aminothian-4-one is C5H9NOS.
What is the molecular weight of 3-Aminothian-4-one?
The molecular weight of 3-Aminothian-4-one is 131.04 g/mol.
Where can I buy 3-Aminothian-4-one?
You can request a quote for 3-Aminothian-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminothian-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminothian-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.