4,5-Diamino-2,6-dimercaptopyrimidine
TL;DR: 4,5-Diamino-2,6-dimercaptopyrimidine (CAS 31295-41-7) is a chemical compound with molecular formula C4H6N4S2 and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diamino-1H-pyrimidine-2,4-dithione
Also Known As: 4,5-Diamino-2,6-dimercaptopyrimidine, Cetotiamine, 5,6-Diaminopyrimidine-2,4-dithiol, 2,4-Dimercapto-5,6-diaminopyrimidine, 5,6-diamino-1H-pyrimidine-2,4-dithione
| Molecular Formula | C4H6N4S2 |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 0.96618 |
| Topological Polar Surface Area | 83.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.00339 |
| Heavy Atoms | 10 |
| Complexity | 349.0106 |
Chemical Identifiers
| CAS Number | 31295-41-7 |
|---|---|
| SMILES | C1(=C(NC(=S)NC1=S)N)N |
Product Overview
4,5-Diamino-2,6-dimercaptopyrimidine (CAS 31295-41-7), with molecular formula C4H6N4S2 and molecular weight 174.00 g/mol. IUPAC: 5,6-diamino-1H-pyrimidine-2,4-dithione.
Chemical Property Profile of 4,5-Diamino-2,6-dimercaptopyrimidine
Property Insights of 4,5-Diamino-2,6-dimercaptopyrimidine
The XLogP value of 0.96618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Diamino-2,6-dimercaptopyrimidine. The TPSA of 83.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diamino-2,6-dimercaptopyrimidine. Following Lipinski's Rule of Five, 4,5-Diamino-2,6-dimercaptopyrimidine has 4 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 4,5-Diamino-2,6-dimercaptopyrimidine?
The CAS number of 4,5-Diamino-2,6-dimercaptopyrimidine is 31295-41-7.
What is the molecular formula of 4,5-Diamino-2,6-dimercaptopyrimidine?
The molecular formula of 4,5-Diamino-2,6-dimercaptopyrimidine is C4H6N4S2.
What is the molecular weight of 4,5-Diamino-2,6-dimercaptopyrimidine?
The molecular weight of 4,5-Diamino-2,6-dimercaptopyrimidine is 174.00 g/mol.
Where can I buy 4,5-Diamino-2,6-dimercaptopyrimidine?
You can request a quote for 4,5-Diamino-2,6-dimercaptopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Diamino-2,6-dimercaptopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diamino-2,6-dimercaptopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.