2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-
TL;DR: 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- (CAS 301236-45-3) is a chemical compound with molecular formula C5H3N3O2S and molecular weight 168.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-isothiocyanato-1H-pyrimidine-2,4-dione
Also Known As: 6-isothiocyanato-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-PYRIMIDINEDIONE, 6-ISOTHIOCYANATO-, 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- (9CI), 6-isothiocyanato-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C5H3N3O2S |
|---|---|
| Molecular Weight | 168.99 g/mol |
| LogP | -0.2025 |
| Topological Polar Surface Area | 78.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.9946 |
| Heavy Atoms | 11 |
| Complexity | 383.97598 |
Chemical Identifiers
| CAS Number | 301236-45-3 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)N=C=S |
Product Overview
2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- (CAS 301236-45-3), with molecular formula C5H3N3O2S and molecular weight 168.99 g/mol. IUPAC: 6-isothiocyanato-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-
Property Insights of 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-
The XLogP value of -0.2025 indicates that 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- 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 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- is 301236-45-3.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- is C5H3N3O2S.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- is 168.99 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, 6-isothiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.