2,4-Diamino-6-mercaptopyrimidine hemisulfate
TL;DR: 2,4-Diamino-6-mercaptopyrimidine hemisulfate (CAS 81012-96-6) is a chemical compound with molecular formula C8H14N8O4S3 and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,6-diamino-1H-pyrimidine-4-thione);sulfuric acid
Also Known As: 2,4-Diamino-6-mercaptopyrimidine hemisulfate, C4H6N4S.1/2H2O4S, EINECS 279-657-2, C4-H6-N4-S.1/2H2-O4-S, 4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate
| Molecular Formula | C8H14N8O4S3 |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | -0.04562 |
| Topological Polar Surface Area | 236.04 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 382.03003 |
| Heavy Atoms | 23 |
| Complexity | 750.11444 |
Chemical Identifiers
| CAS Number | 81012-96-6 |
|---|---|
| SMILES | C1=C(NC(=NC1=S)N)N.C1=C(NC(=NC1=S)N)N.OS(=O)(=O)O |
Product Overview
2,4-Diamino-6-mercaptopyrimidine hemisulfate (CAS 81012-96-6), with molecular formula C8H14N8O4S3 and molecular weight 382.03 g/mol. IUPAC: bis(2,6-diamino-1H-pyrimidine-4-thione);sulfuric acid.
Chemical Property Profile of 2,4-Diamino-6-mercaptopyrimidine hemisulfate
Property Insights of 2,4-Diamino-6-mercaptopyrimidine hemisulfate
The XLogP value of -0.04562 indicates that 2,4-Diamino-6-mercaptopyrimidine hemisulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.04 Ų indicates high polarity, suggesting 2,4-Diamino-6-mercaptopyrimidine hemisulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Diamino-6-mercaptopyrimidine hemisulfate has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Diamino-6-mercaptopyrimidine hemisulfate?
The CAS number of 2,4-Diamino-6-mercaptopyrimidine hemisulfate is 81012-96-6.
What is the molecular formula of 2,4-Diamino-6-mercaptopyrimidine hemisulfate?
The molecular formula of 2,4-Diamino-6-mercaptopyrimidine hemisulfate is C8H14N8O4S3.
What is the molecular weight of 2,4-Diamino-6-mercaptopyrimidine hemisulfate?
The molecular weight of 2,4-Diamino-6-mercaptopyrimidine hemisulfate is 382.03 g/mol.
Where can I buy 2,4-Diamino-6-mercaptopyrimidine hemisulfate?
You can request a quote for 2,4-Diamino-6-mercaptopyrimidine hemisulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-6-mercaptopyrimidine hemisulfate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-6-mercaptopyrimidine hemisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.