6-Thiodihydroorotate
TL;DR: 6-Thiodihydroorotate (CAS 118438-67-8) is a chemical compound with molecular formula C5H6N2O3S and molecular weight 174.00992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-2-oxo-6-sulfanylidene-1,3-diazinane-4-carboxylic acid
Also Known As: 6-Thiodihydroorotate, TDHO, (4S)-2-oxo-6-sulfanylidene-1,3-diazinane-4-carboxylic acid, 2-Oxo-6-thioxohexahydropyrimidine-4-carboxylate, (S)-2-Oxo-6-thioxohexahydropyrimidine-4-carboxylic acid
Technical Specifications
| Molecular Formula | C5H6N2O3S |
| Molecular Weight | 174.00992 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00992 Da |
| Heavy Atoms | 11 |
| Complexity | 228.0 |
| SMILES | C1[C@H](NC(=O)NC1=S)C(=O)O |
| InChIKey | MVRPKKZJGHVFOI-REOHCLBHSA-N |
Chemical Property Profile of 6-Thiodihydroorotate
Property Insights of 6-Thiodihydroorotate
The XLogP value of -0.9 indicates that 6-Thiodihydroorotate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Thiodihydroorotate. Following Lipinski's Rule of Five, 6-Thiodihydroorotate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Thiodihydroorotate?
The CAS number of 6-Thiodihydroorotate is 118438-67-8.
What is the molecular formula of 6-Thiodihydroorotate?
The molecular formula of 6-Thiodihydroorotate is C5H6N2O3S.
What is the molecular weight of 6-Thiodihydroorotate?
The molecular weight of 6-Thiodihydroorotate is 174.00992 g/mol.
Where can I buy 6-Thiodihydroorotate?
You can request a quote for 6-Thiodihydroorotate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Thiodihydroorotate?
Yes, CoreyChem provides custom synthesis services for 6-Thiodihydroorotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.