![5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/370/370075-67-5.png)
5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 370075-67-5) is a chemical compound with molecular formula C11H17N3O2S2 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-tert-butylsulfanylethyliminomethyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 2-sulfanylidene-5-[(2-tert-butylsulfanylethylamino)methylidene]-1,3-diazinane-4,6-dione, 5-(((2-(tert-butylthio)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2-tert-butylsulfanylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
| Molecular Formula | C11H17N3O2S2 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.08869 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07623 |
| Heavy Atoms | 18 |
| Complexity | 540.4449 |
Chemical Identifiers
| CAS Number | 370075-67-5 |
|---|---|
| SMILES | CC(C)(C)SCCN=CC1=C(NC(=S)NC1=O)O |
Product Overview
5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 370075-67-5), with molecular formula C11H17N3O2S2 and molecular weight 287.08 g/mol. IUPAC: 5-(2-tert-butylsulfanylethyliminomethyl)-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.08869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 3 hydrogen bond donor(s) and 5 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-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 370075-67-5.
What is the molecular formula of 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C11H17N3O2S2.
What is the molecular weight of 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 287.08 g/mol.
Where can I buy 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-({[2-(tert-butylsulfanyl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.