Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate
TL;DR: Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate (CAS 73681-08-0) is a chemical compound with molecular formula C5H9N5O5S and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)amino]thiourea;hydrate
Also Known As: 5-Hydroxy-5-thiosemicarbazidebarbituric acid hydrate, BARBITURIC ACID, 5-HYDROXY-5-THIOSEMICARBAZIDE, HYDRATE, [(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)amino]thiourea hydrate, 2-(5-Hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)hydrazine-1-carbothioamide--water (1/1), Hydrazinecarbothioamide, 2-(hexahydro-5-hydroxy-2,4,6-trioxo-5-pyrimidinyl)-, hydrate
| Molecular Formula | C5H9N5O5S |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | -4.4459 |
| Topological Polar Surface Area | 177.08 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.03244 |
| Heavy Atoms | 16 |
| Complexity | 337.11856 |
Chemical Identifiers
| CAS Number | 73681-08-0 |
|---|---|
| SMILES | C1(=O)C(C(=O)NC(=O)N1)(NNC(=S)N)O.O |
Product Overview
Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate (CAS 73681-08-0), with molecular formula C5H9N5O5S and molecular weight 251.03 g/mol. IUPAC: [(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)amino]thiourea;hydrate.
Chemical Property Profile of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate
Property Insights of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate
The XLogP value of -4.4459 indicates that Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.08 Ų indicates high polarity, suggesting Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate?
The CAS number of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate is 73681-08-0.
What is the molecular formula of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate?
The molecular formula of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate is C5H9N5O5S.
What is the molecular weight of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate?
The molecular weight of Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate is 251.03 g/mol.
Where can I buy Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate?
You can request a quote for Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.