2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione
TL;DR: 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione (CAS 31739-65-8) is a chemical compound with molecular formula C11H12N4S2 and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione
Also Known As: 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione, 2,5-diamino-6-(benzylthio)pyrimidine-4(3H)-thione, 2,5-diamino-6-benzylsulfanyl-3H-pyrimidine-4-thione, 2,5-Diamino-6-(benzylsulfanyl)pyrimidine-4(3H)-thione
| Molecular Formula | C11H12N4S2 |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.59589 |
| Topological Polar Surface Area | 80.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05035 |
| Heavy Atoms | 17 |
| Complexity | 565.42926 |
Chemical Identifiers
| CAS Number | 31739-65-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=S)NC(=N2)N)N |
Product Overview
2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione (CAS 31739-65-8), with molecular formula C11H12N4S2 and molecular weight 264.05 g/mol. IUPAC: 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione.
Chemical Property Profile of 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione
Property Insights of 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione
The XLogP value of 2.59589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione. The TPSA of 80.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione. Following Lipinski's Rule of Five, 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione 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 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione?
The CAS number of 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione is 31739-65-8.
What is the molecular formula of 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione?
The molecular formula of 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione is C11H12N4S2.
What is the molecular weight of 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione?
The molecular weight of 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione is 264.05 g/mol.
Where can I buy 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione?
You can request a quote for 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.