4-aminopyrimidine-5-carbothioamide Hydrate
TL;DR: 4-aminopyrimidine-5-carbothioamide Hydrate (CAS 256525-68-5) is a chemical compound with molecular formula C5H8N4OS and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminopyrimidine-5-carbothioamide;hydrate
Also Known As: 4-aminopyrimidine-5-carbothioamide Hydrate, 4-aminopyrimidine-5-carbothioamide;hydrate, 4-aminopyrimidine-5-carbothioamideHydrate, 5-Pyrimidinecarbothioamide,4-amino-,monohydrate(9CI), 5-Pyrimidinecarbothioamide, 4-amino-, monohydrate (9CI)
| Molecular Formula | C5H8N4OS |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | -1.1317 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.04189 |
| Heavy Atoms | 11 |
| Complexity | 264.41425 |
Chemical Identifiers
| CAS Number | 256525-68-5 |
|---|---|
| SMILES | C1=C(C(=NC=N1)N)C(=S)N.O |
Product Overview
4-aminopyrimidine-5-carbothioamide Hydrate (CAS 256525-68-5), with molecular formula C5H8N4OS and molecular weight 172.04 g/mol. IUPAC: 4-aminopyrimidine-5-carbothioamide;hydrate.
Chemical Property Profile of 4-aminopyrimidine-5-carbothioamide Hydrate
Property Insights of 4-aminopyrimidine-5-carbothioamide Hydrate
The XLogP value of -1.1317 indicates that 4-aminopyrimidine-5-carbothioamide Hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-aminopyrimidine-5-carbothioamide Hydrate. Following Lipinski's Rule of Five, 4-aminopyrimidine-5-carbothioamide Hydrate has 2 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-aminopyrimidine-5-carbothioamide Hydrate?
The CAS number of 4-aminopyrimidine-5-carbothioamide Hydrate is 256525-68-5.
What is the molecular formula of 4-aminopyrimidine-5-carbothioamide Hydrate?
The molecular formula of 4-aminopyrimidine-5-carbothioamide Hydrate is C5H8N4OS.
What is the molecular weight of 4-aminopyrimidine-5-carbothioamide Hydrate?
The molecular weight of 4-aminopyrimidine-5-carbothioamide Hydrate is 172.04 g/mol.
Where can I buy 4-aminopyrimidine-5-carbothioamide Hydrate?
You can request a quote for 4-aminopyrimidine-5-carbothioamide Hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-aminopyrimidine-5-carbothioamide Hydrate?
Yes, KEHONG BIO provides custom synthesis services for 4-aminopyrimidine-5-carbothioamide Hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.