5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 500538-75-0) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-anilino-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-anilino-2-sulfanylidene-1,3-diazinane-4,6-dione, 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(phenylamino)-2-thioxo-
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | -0.002 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 426.63718 |
Chemical Identifiers
| CAS Number | 500538-75-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2C(=O)NC(=S)NC2=O |
Product Overview
5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 500538-75-0), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: 5-anilino-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of -0.002 indicates that 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 hydrogen bond donor(s) and 4 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-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione is 500538-75-0.
What is the molecular formula of 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione is C10H9N3O2S.
What is the molecular weight of 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione is 235.04 g/mol.
Where can I buy 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-Anilino-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-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Anilino-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.