![3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione structure](/static/products/4950/4950-46-3.webp)
3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione
TL;DR: 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione (CAS 4950-46-3) is a chemical compound with molecular formula C8H17NO2S and molecular weight 191.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-1,1-dioxothiolan-3-amine
Also Known As: 3-[(butan-2-yl)amino]-1lambda6-thiolane-1,1-dione, N-butan-2-yl-1,1-dioxothiolan-3-amine, N-butan-2-yl-1,1-dioxo-thiolan-3-amine, 3-(sec-Butylamino)tetrahydrothiophene 1,1-dioxide, 3-(sec-butylamino)-1
| Molecular Formula | C8H17NO2S |
|---|---|
| Molecular Weight | 191.10 g/mol |
| LogP | 0.5616 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.098 |
| Heavy Atoms | 12 |
| Complexity | 235.44241 |
Chemical Identifiers
| CAS Number | 4950-46-3 |
|---|---|
| SMILES | CCC(C)NC1CCS(=O)(=O)C1 |
Product Overview
3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione (CAS 4950-46-3), with molecular formula C8H17NO2S and molecular weight 191.10 g/mol. IUPAC: N-butan-2-yl-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione
Property Insights of 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione
The XLogP value of 0.5616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione 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-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione?
The CAS number of 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione is 4950-46-3.
What is the molecular formula of 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione?
The molecular formula of 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione is C8H17NO2S.
What is the molecular weight of 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione?
The molecular weight of 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione is 191.10 g/mol.
Where can I buy 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione?
You can request a quote for 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.