5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 90565-95-0) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 3,6-Dimethyl-5-propyl-1H-pyrimidin-2,4-dion, 4,6(1H,5H)-Pyrimidinedione, 5-butyldihydro-1-methyl-2-thioxo-
| Molecular Formula | C9H14N2O2S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 0.6659 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.0776 |
| Heavy Atoms | 14 |
| Complexity | 277.98553 |
Chemical Identifiers
| CAS Number | 90565-95-0 |
|---|---|
| SMILES | CCCCC1C(=O)NC(=S)N(C1=O)C |
Product Overview
5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 90565-95-0), with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol. IUPAC: 5-butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 0.6659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-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 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 90565-95-0.
What is the molecular formula of 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C9H14N2O2S.
What is the molecular weight of 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 214.08 g/mol.
Where can I buy 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.